USER MOD reduce.3.24.130724 H: found=0, std=0, add=561, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 559 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 19 HIS : no HD1:sc= -1.22 K(o=-1.2,f=-0.084) USER MOD Single : A 21 THR OG1 : rot 88:sc= 0.391 USER MOD Single : A 22 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 24 ASN : amide:sc= 0 X(o=0,f=-0.0081) USER MOD Single : A 30 LYS NZ :NH3+ -161:sc= -0.0463 (180deg=-0.383) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 42 ASN : amide:sc= 0.0834 K(o=0.083,f=-4!) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= -1.74 K(o=-1.7,f=-0.35) USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 67 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 68 GLN : amide:sc= 0 X(o=0,f=-0.021) USER MOD Single : A 76 SER OG : rot -58:sc= 0.373 USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 22.535 1.357 -24.879 1.00 0.00 N ATOM 2 CA GLY A 1 21.176 1.317 -24.374 1.00 0.00 C ATOM 3 C GLY A 1 21.004 0.312 -23.251 1.00 0.00 C ATOM 4 O GLY A 1 21.855 0.206 -22.368 1.00 0.00 O ATOM 0 H1 GLY A 1 22.601 2.058 -25.644 1.00 0.00 H new ATOM 0 H2 GLY A 1 23.183 1.622 -24.110 1.00 0.00 H new ATOM 0 H3 GLY A 1 22.797 0.420 -25.245 1.00 0.00 H new ATOM 0 HA2 GLY A 1 20.895 2.308 -24.017 1.00 0.00 H new ATOM 0 HA3 GLY A 1 20.496 1.067 -25.189 1.00 0.00 H new ATOM 8 N SER A 2 19.899 -0.426 -23.284 1.00 0.00 N ATOM 9 CA SER A 2 19.615 -1.423 -22.258 1.00 0.00 C ATOM 10 C SER A 2 19.442 -2.806 -22.878 1.00 0.00 C ATOM 11 O SER A 2 19.396 -2.949 -24.100 1.00 0.00 O ATOM 12 CB SER A 2 18.355 -1.040 -21.479 1.00 0.00 C ATOM 13 OG SER A 2 18.305 -1.708 -20.230 1.00 0.00 O ATOM 0 H SER A 2 19.186 -0.352 -24.010 1.00 0.00 H new ATOM 0 HA SER A 2 20.462 -1.454 -21.572 1.00 0.00 H new ATOM 0 HB2 SER A 2 18.336 0.038 -21.319 1.00 0.00 H new ATOM 0 HB3 SER A 2 17.471 -1.291 -22.065 1.00 0.00 H new ATOM 0 HG SER A 2 17.492 -1.445 -19.751 1.00 0.00 H new ATOM 19 N SER A 3 19.346 -3.822 -22.026 1.00 0.00 N ATOM 20 CA SER A 3 19.182 -5.195 -22.489 1.00 0.00 C ATOM 21 C SER A 3 18.425 -6.028 -21.460 1.00 0.00 C ATOM 22 O SER A 3 18.293 -5.635 -20.302 1.00 0.00 O ATOM 23 CB SER A 3 20.547 -5.827 -22.770 1.00 0.00 C ATOM 24 OG SER A 3 20.432 -6.900 -23.689 1.00 0.00 O ATOM 0 H SER A 3 19.379 -3.720 -21.012 1.00 0.00 H new ATOM 0 HA SER A 3 18.602 -5.175 -23.412 1.00 0.00 H new ATOM 0 HB2 SER A 3 21.225 -5.073 -23.169 1.00 0.00 H new ATOM 0 HB3 SER A 3 20.983 -6.187 -21.838 1.00 0.00 H new ATOM 0 HG SER A 3 21.318 -7.286 -23.854 1.00 0.00 H new ATOM 30 N GLY A 4 17.928 -7.183 -21.893 1.00 0.00 N ATOM 31 CA GLY A 4 17.190 -8.055 -20.997 1.00 0.00 C ATOM 32 C GLY A 4 15.757 -8.267 -21.445 1.00 0.00 C ATOM 33 O GLY A 4 15.290 -7.618 -22.382 1.00 0.00 O ATOM 0 H GLY A 4 18.023 -7.530 -22.847 1.00 0.00 H new ATOM 0 HA2 GLY A 4 17.695 -9.019 -20.936 1.00 0.00 H new ATOM 0 HA3 GLY A 4 17.195 -7.628 -19.994 1.00 0.00 H new ATOM 37 N SER A 5 15.058 -9.178 -20.776 1.00 0.00 N ATOM 38 CA SER A 5 13.672 -9.478 -21.115 1.00 0.00 C ATOM 39 C SER A 5 12.731 -9.028 -20.000 1.00 0.00 C ATOM 40 O SER A 5 13.174 -8.564 -18.950 1.00 0.00 O ATOM 41 CB SER A 5 13.499 -10.976 -21.369 1.00 0.00 C ATOM 42 OG SER A 5 12.453 -11.220 -22.293 1.00 0.00 O ATOM 0 H SER A 5 15.429 -9.721 -19.996 1.00 0.00 H new ATOM 0 HA SER A 5 13.420 -8.931 -22.024 1.00 0.00 H new ATOM 0 HB2 SER A 5 14.431 -11.393 -21.751 1.00 0.00 H new ATOM 0 HB3 SER A 5 13.284 -11.485 -20.429 1.00 0.00 H new ATOM 0 HG SER A 5 12.364 -12.185 -22.439 1.00 0.00 H new ATOM 48 N SER A 6 11.431 -9.170 -20.239 1.00 0.00 N ATOM 49 CA SER A 6 10.427 -8.775 -19.258 1.00 0.00 C ATOM 50 C SER A 6 9.039 -9.242 -19.684 1.00 0.00 C ATOM 51 O SER A 6 8.774 -9.438 -20.869 1.00 0.00 O ATOM 52 CB SER A 6 10.432 -7.256 -19.074 1.00 0.00 C ATOM 53 OG SER A 6 10.157 -6.594 -20.297 1.00 0.00 O ATOM 0 H SER A 6 11.049 -9.555 -21.103 1.00 0.00 H new ATOM 0 HA SER A 6 10.676 -9.249 -18.309 1.00 0.00 H new ATOM 0 HB2 SER A 6 9.688 -6.974 -18.329 1.00 0.00 H new ATOM 0 HB3 SER A 6 11.402 -6.936 -18.693 1.00 0.00 H new ATOM 0 HG SER A 6 10.164 -5.625 -20.153 1.00 0.00 H new ATOM 59 N GLY A 7 8.155 -9.419 -18.707 1.00 0.00 N ATOM 60 CA GLY A 7 6.804 -9.862 -18.999 1.00 0.00 C ATOM 61 C GLY A 7 6.060 -10.314 -17.758 1.00 0.00 C ATOM 62 O GLY A 7 5.602 -11.454 -17.681 1.00 0.00 O ATOM 0 H GLY A 7 8.350 -9.263 -17.718 1.00 0.00 H new ATOM 0 HA2 GLY A 7 6.253 -9.050 -19.473 1.00 0.00 H new ATOM 0 HA3 GLY A 7 6.841 -10.683 -19.715 1.00 0.00 H new ATOM 66 N ASP A 8 5.942 -9.419 -16.783 1.00 0.00 N ATOM 67 CA ASP A 8 5.249 -9.732 -15.539 1.00 0.00 C ATOM 68 C ASP A 8 3.755 -9.448 -15.662 1.00 0.00 C ATOM 69 O ASP A 8 3.315 -8.782 -16.599 1.00 0.00 O ATOM 70 CB ASP A 8 5.841 -8.923 -14.384 1.00 0.00 C ATOM 71 CG ASP A 8 7.067 -9.582 -13.783 1.00 0.00 C ATOM 72 OD1 ASP A 8 6.937 -10.706 -13.256 1.00 0.00 O ATOM 73 OD2 ASP A 8 8.156 -8.973 -13.839 1.00 0.00 O ATOM 0 H ASP A 8 6.317 -8.472 -16.830 1.00 0.00 H new ATOM 0 HA ASP A 8 5.382 -10.794 -15.335 1.00 0.00 H new ATOM 0 HB2 ASP A 8 6.105 -7.927 -14.740 1.00 0.00 H new ATOM 0 HB3 ASP A 8 5.085 -8.794 -13.609 1.00 0.00 H new ATOM 78 N SER A 9 2.980 -9.960 -14.711 1.00 0.00 N ATOM 79 CA SER A 9 1.535 -9.765 -14.716 1.00 0.00 C ATOM 80 C SER A 9 1.099 -8.906 -13.533 1.00 0.00 C ATOM 81 O SER A 9 1.132 -9.348 -12.385 1.00 0.00 O ATOM 82 CB SER A 9 0.818 -11.116 -14.671 1.00 0.00 C ATOM 83 OG SER A 9 0.831 -11.742 -15.942 1.00 0.00 O ATOM 0 H SER A 9 3.328 -10.513 -13.928 1.00 0.00 H new ATOM 0 HA SER A 9 1.265 -9.248 -15.637 1.00 0.00 H new ATOM 0 HB2 SER A 9 1.300 -11.763 -13.938 1.00 0.00 H new ATOM 0 HB3 SER A 9 -0.212 -10.974 -14.342 1.00 0.00 H new ATOM 0 HG SER A 9 0.368 -12.604 -15.887 1.00 0.00 H new ATOM 89 N ILE A 10 0.689 -7.675 -13.824 1.00 0.00 N ATOM 90 CA ILE A 10 0.245 -6.754 -12.786 1.00 0.00 C ATOM 91 C ILE A 10 -0.921 -7.337 -11.995 1.00 0.00 C ATOM 92 O ILE A 10 -1.959 -7.680 -12.560 1.00 0.00 O ATOM 93 CB ILE A 10 -0.181 -5.398 -13.381 1.00 0.00 C ATOM 94 CG1 ILE A 10 0.980 -4.769 -14.155 1.00 0.00 C ATOM 95 CG2 ILE A 10 -0.659 -4.463 -12.280 1.00 0.00 C ATOM 96 CD1 ILE A 10 2.194 -4.486 -13.299 1.00 0.00 C ATOM 0 H ILE A 10 0.655 -7.294 -14.769 1.00 0.00 H new ATOM 0 HA ILE A 10 1.093 -6.599 -12.119 1.00 0.00 H new ATOM 0 HB ILE A 10 -1.007 -5.565 -14.073 1.00 0.00 H new ATOM 0 HG12 ILE A 10 1.267 -5.435 -14.969 1.00 0.00 H new ATOM 0 HG13 ILE A 10 0.641 -3.838 -14.609 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -0.956 -3.509 -12.716 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -1.511 -4.910 -11.768 1.00 0.00 H new ATOM 0 HG23 ILE A 10 0.148 -4.299 -11.566 1.00 0.00 H new ATOM 0 HD11 ILE A 10 2.977 -4.041 -13.913 1.00 0.00 H new ATOM 0 HD12 ILE A 10 1.923 -3.795 -12.500 1.00 0.00 H new ATOM 0 HD13 ILE A 10 2.558 -5.417 -12.865 1.00 0.00 H new ATOM 108 N VAL A 11 -0.743 -7.445 -10.682 1.00 0.00 N ATOM 109 CA VAL A 11 -1.780 -7.985 -9.811 1.00 0.00 C ATOM 110 C VAL A 11 -2.580 -6.867 -9.152 1.00 0.00 C ATOM 111 O VAL A 11 -2.018 -5.866 -8.708 1.00 0.00 O ATOM 112 CB VAL A 11 -1.182 -8.887 -8.716 1.00 0.00 C ATOM 113 CG1 VAL A 11 -2.272 -9.387 -7.780 1.00 0.00 C ATOM 114 CG2 VAL A 11 -0.428 -10.052 -9.340 1.00 0.00 C ATOM 0 H VAL A 11 0.110 -7.165 -10.198 1.00 0.00 H new ATOM 0 HA VAL A 11 -2.442 -8.581 -10.440 1.00 0.00 H new ATOM 0 HB VAL A 11 -0.476 -8.298 -8.130 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -1.830 -10.023 -7.013 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -2.764 -8.537 -7.307 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -3.005 -9.960 -8.348 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -0.012 -10.680 -8.552 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -1.111 -10.642 -9.951 1.00 0.00 H new ATOM 0 HG23 VAL A 11 0.380 -9.670 -9.964 1.00 0.00 H new ATOM 124 N SER A 12 -3.896 -7.044 -9.091 1.00 0.00 N ATOM 125 CA SER A 12 -4.775 -6.049 -8.489 1.00 0.00 C ATOM 126 C SER A 12 -5.613 -6.667 -7.374 1.00 0.00 C ATOM 127 O SER A 12 -6.229 -7.717 -7.555 1.00 0.00 O ATOM 128 CB SER A 12 -5.691 -5.437 -9.550 1.00 0.00 C ATOM 129 OG SER A 12 -5.070 -4.331 -10.183 1.00 0.00 O ATOM 0 H SER A 12 -4.377 -7.868 -9.452 1.00 0.00 H new ATOM 0 HA SER A 12 -4.152 -5.264 -8.060 1.00 0.00 H new ATOM 0 HB2 SER A 12 -5.945 -6.191 -10.295 1.00 0.00 H new ATOM 0 HB3 SER A 12 -6.625 -5.118 -9.088 1.00 0.00 H new ATOM 0 HG SER A 12 -5.675 -3.958 -10.858 1.00 0.00 H new ATOM 135 N ALA A 13 -5.630 -6.009 -6.220 1.00 0.00 N ATOM 136 CA ALA A 13 -6.393 -6.491 -5.075 1.00 0.00 C ATOM 137 C ALA A 13 -7.440 -5.471 -4.644 1.00 0.00 C ATOM 138 O ALA A 13 -7.350 -4.293 -4.988 1.00 0.00 O ATOM 139 CB ALA A 13 -5.460 -6.815 -3.917 1.00 0.00 C ATOM 0 H ALA A 13 -5.124 -5.140 -6.053 1.00 0.00 H new ATOM 0 HA ALA A 13 -6.913 -7.401 -5.374 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -6.043 -7.174 -3.069 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -4.754 -7.586 -4.224 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -4.914 -5.917 -3.628 1.00 0.00 H new ATOM 145 N GLU A 14 -8.434 -5.932 -3.890 1.00 0.00 N ATOM 146 CA GLU A 14 -9.499 -5.057 -3.414 1.00 0.00 C ATOM 147 C GLU A 14 -9.413 -4.869 -1.902 1.00 0.00 C ATOM 148 O GLU A 14 -9.197 -5.825 -1.158 1.00 0.00 O ATOM 149 CB GLU A 14 -10.867 -5.631 -3.791 1.00 0.00 C ATOM 150 CG GLU A 14 -12.029 -4.941 -3.097 1.00 0.00 C ATOM 151 CD GLU A 14 -13.361 -5.233 -3.759 1.00 0.00 C ATOM 152 OE1 GLU A 14 -13.402 -5.303 -5.005 1.00 0.00 O ATOM 153 OE2 GLU A 14 -14.362 -5.393 -3.031 1.00 0.00 O ATOM 0 H GLU A 14 -8.524 -6.905 -3.596 1.00 0.00 H new ATOM 0 HA GLU A 14 -9.377 -4.085 -3.891 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -11.000 -5.551 -4.870 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -10.886 -6.693 -3.545 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -12.067 -5.261 -2.056 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -11.858 -3.865 -3.093 1.00 0.00 H new ATOM 160 N ALA A 15 -9.585 -3.629 -1.455 1.00 0.00 N ATOM 161 CA ALA A 15 -9.528 -3.315 -0.033 1.00 0.00 C ATOM 162 C ALA A 15 -10.781 -3.803 0.687 1.00 0.00 C ATOM 163 O ALA A 15 -11.852 -3.209 0.563 1.00 0.00 O ATOM 164 CB ALA A 15 -9.350 -1.818 0.170 1.00 0.00 C ATOM 0 H ALA A 15 -9.765 -2.826 -2.057 1.00 0.00 H new ATOM 0 HA ALA A 15 -8.670 -3.833 0.394 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -9.309 -1.598 1.237 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -8.423 -1.494 -0.303 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -10.190 -1.288 -0.278 1.00 0.00 H new ATOM 170 N VAL A 16 -10.639 -4.889 1.440 1.00 0.00 N ATOM 171 CA VAL A 16 -11.759 -5.457 2.181 1.00 0.00 C ATOM 172 C VAL A 16 -11.877 -4.831 3.566 1.00 0.00 C ATOM 173 O VAL A 16 -12.964 -4.766 4.138 1.00 0.00 O ATOM 174 CB VAL A 16 -11.617 -6.984 2.330 1.00 0.00 C ATOM 175 CG1 VAL A 16 -11.860 -7.676 0.997 1.00 0.00 C ATOM 176 CG2 VAL A 16 -10.245 -7.339 2.883 1.00 0.00 C ATOM 0 H VAL A 16 -9.759 -5.393 1.553 1.00 0.00 H new ATOM 0 HA VAL A 16 -12.660 -5.237 1.609 1.00 0.00 H new ATOM 0 HB VAL A 16 -12.370 -7.335 3.036 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -11.755 -8.754 1.122 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -12.866 -7.447 0.647 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -11.132 -7.323 0.266 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -10.162 -8.421 2.982 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -9.474 -6.976 2.203 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -10.115 -6.874 3.860 1.00 0.00 H new ATOM 186 N TRP A 17 -10.750 -4.371 4.098 1.00 0.00 N ATOM 187 CA TRP A 17 -10.727 -3.748 5.417 1.00 0.00 C ATOM 188 C TRP A 17 -9.940 -2.443 5.388 1.00 0.00 C ATOM 189 O TRP A 17 -8.804 -2.402 4.914 1.00 0.00 O ATOM 190 CB TRP A 17 -10.116 -4.704 6.443 1.00 0.00 C ATOM 191 CG TRP A 17 -11.082 -5.736 6.941 1.00 0.00 C ATOM 192 CD1 TRP A 17 -11.835 -6.587 6.184 1.00 0.00 C ATOM 193 CD2 TRP A 17 -11.400 -6.023 8.308 1.00 0.00 C ATOM 194 NE1 TRP A 17 -12.601 -7.387 6.997 1.00 0.00 N ATOM 195 CE2 TRP A 17 -12.352 -7.061 8.304 1.00 0.00 C ATOM 196 CE3 TRP A 17 -10.971 -5.507 9.533 1.00 0.00 C ATOM 197 CZ2 TRP A 17 -12.882 -7.589 9.479 1.00 0.00 C ATOM 198 CZ3 TRP A 17 -11.498 -6.032 10.698 1.00 0.00 C ATOM 199 CH2 TRP A 17 -12.444 -7.064 10.664 1.00 0.00 C ATOM 0 H TRP A 17 -9.841 -4.417 3.637 1.00 0.00 H new ATOM 0 HA TRP A 17 -11.754 -3.525 5.705 1.00 0.00 H new ATOM 0 HB2 TRP A 17 -9.258 -5.206 5.996 1.00 0.00 H new ATOM 0 HB3 TRP A 17 -9.743 -4.127 7.289 1.00 0.00 H new ATOM 0 HD1 TRP A 17 -11.829 -6.626 5.105 1.00 0.00 H new ATOM 0 HE1 TRP A 17 -13.250 -8.107 6.679 1.00 0.00 H new ATOM 0 HE3 TRP A 17 -10.241 -4.712 9.569 1.00 0.00 H new ATOM 0 HZ2 TRP A 17 -13.612 -8.384 9.455 1.00 0.00 H new ATOM 0 HZ3 TRP A 17 -11.175 -5.640 11.651 1.00 0.00 H new ATOM 0 HH2 TRP A 17 -12.836 -7.453 11.592 1.00 0.00 H new ATOM 210 N ASP A 18 -10.550 -1.378 5.898 1.00 0.00 N ATOM 211 CA ASP A 18 -9.905 -0.071 5.932 1.00 0.00 C ATOM 212 C ASP A 18 -8.578 -0.138 6.683 1.00 0.00 C ATOM 213 O ASP A 18 -8.441 -0.881 7.656 1.00 0.00 O ATOM 214 CB ASP A 18 -10.825 0.959 6.589 1.00 0.00 C ATOM 215 CG ASP A 18 -11.478 0.430 7.851 1.00 0.00 C ATOM 216 OD1 ASP A 18 -12.500 -0.278 7.737 1.00 0.00 O ATOM 217 OD2 ASP A 18 -10.968 0.724 8.952 1.00 0.00 O ATOM 0 H ASP A 18 -11.490 -1.395 6.293 1.00 0.00 H new ATOM 0 HA ASP A 18 -9.705 0.234 4.905 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -10.251 1.854 6.828 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -11.598 1.256 5.880 1.00 0.00 H new ATOM 222 N HIS A 19 -7.604 0.641 6.225 1.00 0.00 N ATOM 223 CA HIS A 19 -6.288 0.669 6.853 1.00 0.00 C ATOM 224 C HIS A 19 -5.928 2.084 7.297 1.00 0.00 C ATOM 225 O HIS A 19 -5.864 3.004 6.482 1.00 0.00 O ATOM 226 CB HIS A 19 -5.227 0.140 5.888 1.00 0.00 C ATOM 227 CG HIS A 19 -3.857 0.064 6.487 1.00 0.00 C ATOM 228 ND1 HIS A 19 -2.724 0.503 5.834 1.00 0.00 N ATOM 229 CD2 HIS A 19 -3.440 -0.403 7.687 1.00 0.00 C ATOM 230 CE1 HIS A 19 -1.670 0.308 6.606 1.00 0.00 C ATOM 231 NE2 HIS A 19 -2.078 -0.240 7.737 1.00 0.00 N ATOM 0 H HIS A 19 -7.701 1.261 5.421 1.00 0.00 H new ATOM 0 HA HIS A 19 -6.320 0.027 7.733 1.00 0.00 H new ATOM 0 HB2 HIS A 19 -5.521 -0.853 5.547 1.00 0.00 H new ATOM 0 HB3 HIS A 19 -5.195 0.783 5.008 1.00 0.00 H new ATOM 0 HD2 HIS A 19 -4.063 -0.825 8.461 1.00 0.00 H new ATOM 0 HE1 HIS A 19 -0.649 0.554 6.355 1.00 0.00 H new ATOM 0 HE2 HIS A 19 -1.478 -0.500 8.520 1.00 0.00 H new ATOM 240 N VAL A 20 -5.696 2.250 8.596 1.00 0.00 N ATOM 241 CA VAL A 20 -5.343 3.552 9.148 1.00 0.00 C ATOM 242 C VAL A 20 -3.926 3.545 9.710 1.00 0.00 C ATOM 243 O VAL A 20 -3.555 2.657 10.480 1.00 0.00 O ATOM 244 CB VAL A 20 -6.322 3.975 10.260 1.00 0.00 C ATOM 245 CG1 VAL A 20 -7.723 4.155 9.697 1.00 0.00 C ATOM 246 CG2 VAL A 20 -6.319 2.954 11.388 1.00 0.00 C ATOM 0 H VAL A 20 -5.746 1.499 9.285 1.00 0.00 H new ATOM 0 HA VAL A 20 -5.403 4.269 8.329 1.00 0.00 H new ATOM 0 HB VAL A 20 -5.993 4.932 10.666 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -8.401 4.454 10.497 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -7.709 4.926 8.926 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -8.065 3.215 9.264 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -7.016 3.268 12.165 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -6.623 1.982 11.000 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -5.316 2.879 11.809 1.00 0.00 H new ATOM 256 N THR A 21 -3.135 4.540 9.322 1.00 0.00 N ATOM 257 CA THR A 21 -1.758 4.648 9.786 1.00 0.00 C ATOM 258 C THR A 21 -1.489 6.020 10.395 1.00 0.00 C ATOM 259 O THR A 21 -2.112 7.011 10.016 1.00 0.00 O ATOM 260 CB THR A 21 -0.758 4.404 8.640 1.00 0.00 C ATOM 261 OG1 THR A 21 -0.709 5.548 7.780 1.00 0.00 O ATOM 262 CG2 THR A 21 -1.148 3.174 7.834 1.00 0.00 C ATOM 0 H THR A 21 -3.425 5.283 8.687 1.00 0.00 H new ATOM 0 HA THR A 21 -1.621 3.881 10.548 1.00 0.00 H new ATOM 0 HB THR A 21 0.227 4.236 9.077 1.00 0.00 H new ATOM 0 HG1 THR A 21 -0.040 6.181 8.115 1.00 0.00 H new ATOM 0 HG21 THR A 21 -0.427 3.022 7.031 1.00 0.00 H new ATOM 0 HG22 THR A 21 -1.156 2.300 8.485 1.00 0.00 H new ATOM 0 HG23 THR A 21 -2.141 3.318 7.408 1.00 0.00 H new ATOM 270 N MET A 22 -0.557 6.069 11.341 1.00 0.00 N ATOM 271 CA MET A 22 -0.205 7.321 12.002 1.00 0.00 C ATOM 272 C MET A 22 0.765 8.132 11.148 1.00 0.00 C ATOM 273 O MET A 22 0.682 9.359 11.095 1.00 0.00 O ATOM 274 CB MET A 22 0.414 7.042 13.373 1.00 0.00 C ATOM 275 CG MET A 22 1.680 6.202 13.308 1.00 0.00 C ATOM 276 SD MET A 22 2.236 5.659 14.935 1.00 0.00 S ATOM 277 CE MET A 22 1.162 4.251 15.207 1.00 0.00 C ATOM 0 H MET A 22 -0.032 5.257 11.667 1.00 0.00 H new ATOM 0 HA MET A 22 -1.117 7.902 12.135 1.00 0.00 H new ATOM 0 HB2 MET A 22 0.641 7.990 13.860 1.00 0.00 H new ATOM 0 HB3 MET A 22 -0.320 6.531 13.997 1.00 0.00 H new ATOM 0 HG2 MET A 22 1.501 5.330 12.679 1.00 0.00 H new ATOM 0 HG3 MET A 22 2.472 6.781 12.832 1.00 0.00 H new ATOM 0 HE1 MET A 22 1.385 3.805 16.176 1.00 0.00 H new ATOM 0 HE2 MET A 22 0.122 4.578 15.188 1.00 0.00 H new ATOM 0 HE3 MET A 22 1.325 3.512 14.422 1.00 0.00 H new ATOM 287 N ALA A 23 1.682 7.439 10.482 1.00 0.00 N ATOM 288 CA ALA A 23 2.666 8.095 9.630 1.00 0.00 C ATOM 289 C ALA A 23 2.079 8.414 8.260 1.00 0.00 C ATOM 290 O ALA A 23 0.993 7.951 7.916 1.00 0.00 O ATOM 291 CB ALA A 23 3.905 7.223 9.486 1.00 0.00 C ATOM 0 H ALA A 23 1.764 6.423 10.516 1.00 0.00 H new ATOM 0 HA ALA A 23 2.950 9.035 10.102 1.00 0.00 H new ATOM 0 HB1 ALA A 23 4.631 7.725 8.847 1.00 0.00 H new ATOM 0 HB2 ALA A 23 4.344 7.050 10.468 1.00 0.00 H new ATOM 0 HB3 ALA A 23 3.628 6.268 9.039 1.00 0.00 H new ATOM 297 N ASN A 24 2.806 9.209 7.481 1.00 0.00 N ATOM 298 CA ASN A 24 2.356 9.592 6.147 1.00 0.00 C ATOM 299 C ASN A 24 2.883 8.620 5.096 1.00 0.00 C ATOM 300 O ASN A 24 2.121 8.093 4.285 1.00 0.00 O ATOM 301 CB ASN A 24 2.815 11.014 5.820 1.00 0.00 C ATOM 302 CG ASN A 24 2.002 12.066 6.548 1.00 0.00 C ATOM 303 OD1 ASN A 24 0.788 12.163 6.368 1.00 0.00 O ATOM 304 ND2 ASN A 24 2.670 12.861 7.376 1.00 0.00 N ATOM 0 H ASN A 24 3.709 9.600 7.750 1.00 0.00 H new ATOM 0 HA ASN A 24 1.267 9.558 6.134 1.00 0.00 H new ATOM 0 HB2 ASN A 24 3.866 11.123 6.086 1.00 0.00 H new ATOM 0 HB3 ASN A 24 2.739 11.179 4.745 1.00 0.00 H new ATOM 0 HD21 ASN A 24 2.177 13.588 7.894 1.00 0.00 H new ATOM 0 HD22 ASN A 24 3.676 12.744 7.494 1.00 0.00 H new ATOM 311 N ARG A 25 4.191 8.388 5.116 1.00 0.00 N ATOM 312 CA ARG A 25 4.821 7.480 4.165 1.00 0.00 C ATOM 313 C ARG A 25 3.935 6.265 3.904 1.00 0.00 C ATOM 314 O ARG A 25 3.618 5.952 2.757 1.00 0.00 O ATOM 315 CB ARG A 25 6.186 7.027 4.686 1.00 0.00 C ATOM 316 CG ARG A 25 7.134 8.175 4.990 1.00 0.00 C ATOM 317 CD ARG A 25 8.498 7.669 5.431 1.00 0.00 C ATOM 318 NE ARG A 25 9.543 8.671 5.237 1.00 0.00 N ATOM 319 CZ ARG A 25 10.766 8.565 5.744 1.00 0.00 C ATOM 320 NH1 ARG A 25 11.096 7.508 6.472 1.00 0.00 N ATOM 321 NH2 ARG A 25 11.662 9.519 5.523 1.00 0.00 N ATOM 0 H ARG A 25 4.836 8.816 5.780 1.00 0.00 H new ATOM 0 HA ARG A 25 4.958 8.016 3.226 1.00 0.00 H new ATOM 0 HB2 ARG A 25 6.042 6.437 5.591 1.00 0.00 H new ATOM 0 HB3 ARG A 25 6.648 6.372 3.948 1.00 0.00 H new ATOM 0 HG2 ARG A 25 7.246 8.800 4.104 1.00 0.00 H new ATOM 0 HG3 ARG A 25 6.707 8.803 5.772 1.00 0.00 H new ATOM 0 HD2 ARG A 25 8.457 7.387 6.483 1.00 0.00 H new ATOM 0 HD3 ARG A 25 8.750 6.769 4.869 1.00 0.00 H new ATOM 0 HE ARG A 25 9.321 9.497 4.682 1.00 0.00 H new ATOM 0 HH11 ARG A 25 10.410 6.773 6.644 1.00 0.00 H new ATOM 0 HH12 ARG A 25 12.036 7.429 6.860 1.00 0.00 H new ATOM 0 HH21 ARG A 25 11.411 10.334 4.963 1.00 0.00 H new ATOM 0 HH22 ARG A 25 12.601 9.437 5.913 1.00 0.00 H new ATOM 335 N GLU A 26 3.540 5.586 4.976 1.00 0.00 N ATOM 336 CA GLU A 26 2.692 4.405 4.862 1.00 0.00 C ATOM 337 C GLU A 26 1.500 4.678 3.950 1.00 0.00 C ATOM 338 O GLU A 26 0.881 5.741 4.018 1.00 0.00 O ATOM 339 CB GLU A 26 2.202 3.967 6.244 1.00 0.00 C ATOM 340 CG GLU A 26 3.237 3.189 7.038 1.00 0.00 C ATOM 341 CD GLU A 26 4.170 4.091 7.822 1.00 0.00 C ATOM 342 OE1 GLU A 26 4.793 4.979 7.203 1.00 0.00 O ATOM 343 OE2 GLU A 26 4.277 3.910 9.052 1.00 0.00 O ATOM 0 H GLU A 26 3.793 5.833 5.933 1.00 0.00 H new ATOM 0 HA GLU A 26 3.286 3.603 4.424 1.00 0.00 H new ATOM 0 HB2 GLU A 26 1.908 4.849 6.813 1.00 0.00 H new ATOM 0 HB3 GLU A 26 1.310 3.352 6.126 1.00 0.00 H new ATOM 0 HG2 GLU A 26 2.729 2.513 7.725 1.00 0.00 H new ATOM 0 HG3 GLU A 26 3.822 2.571 6.357 1.00 0.00 H new ATOM 350 N LEU A 27 1.183 3.711 3.096 1.00 0.00 N ATOM 351 CA LEU A 27 0.065 3.846 2.168 1.00 0.00 C ATOM 352 C LEU A 27 -1.262 3.576 2.872 1.00 0.00 C ATOM 353 O LEU A 27 -1.596 2.430 3.170 1.00 0.00 O ATOM 354 CB LEU A 27 0.235 2.884 0.991 1.00 0.00 C ATOM 355 CG LEU A 27 -0.915 2.846 -0.016 1.00 0.00 C ATOM 356 CD1 LEU A 27 -0.892 4.084 -0.900 1.00 0.00 C ATOM 357 CD2 LEU A 27 -0.842 1.583 -0.862 1.00 0.00 C ATOM 0 H LEU A 27 1.684 2.825 3.027 1.00 0.00 H new ATOM 0 HA LEU A 27 0.056 4.870 1.794 1.00 0.00 H new ATOM 0 HB2 LEU A 27 1.148 3.150 0.459 1.00 0.00 H new ATOM 0 HB3 LEU A 27 0.378 1.879 1.387 1.00 0.00 H new ATOM 0 HG LEU A 27 -1.855 2.836 0.536 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -1.718 4.039 -1.610 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -0.994 4.975 -0.281 1.00 0.00 H new ATOM 0 HD13 LEU A 27 0.052 4.126 -1.443 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -1.668 1.573 -1.573 1.00 0.00 H new ATOM 0 HD22 LEU A 27 0.103 1.562 -1.404 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -0.909 0.708 -0.216 1.00 0.00 H new ATOM 369 N ALA A 28 -2.014 4.640 3.132 1.00 0.00 N ATOM 370 CA ALA A 28 -3.306 4.518 3.796 1.00 0.00 C ATOM 371 C ALA A 28 -4.443 4.475 2.781 1.00 0.00 C ATOM 372 O ALA A 28 -4.319 4.995 1.672 1.00 0.00 O ATOM 373 CB ALA A 28 -3.509 5.669 4.771 1.00 0.00 C ATOM 0 H ALA A 28 -1.751 5.596 2.893 1.00 0.00 H new ATOM 0 HA ALA A 28 -3.314 3.580 4.351 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -4.478 5.565 5.260 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -2.720 5.653 5.523 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -3.475 6.615 4.230 1.00 0.00 H new ATOM 379 N PHE A 29 -5.552 3.852 3.167 1.00 0.00 N ATOM 380 CA PHE A 29 -6.711 3.740 2.290 1.00 0.00 C ATOM 381 C PHE A 29 -7.929 3.238 3.059 1.00 0.00 C ATOM 382 O PHE A 29 -7.825 2.845 4.222 1.00 0.00 O ATOM 383 CB PHE A 29 -6.406 2.796 1.125 1.00 0.00 C ATOM 384 CG PHE A 29 -5.638 1.571 1.531 1.00 0.00 C ATOM 385 CD1 PHE A 29 -6.260 0.546 2.226 1.00 0.00 C ATOM 386 CD2 PHE A 29 -4.295 1.443 1.216 1.00 0.00 C ATOM 387 CE1 PHE A 29 -5.555 -0.582 2.602 1.00 0.00 C ATOM 388 CE2 PHE A 29 -3.585 0.317 1.589 1.00 0.00 C ATOM 389 CZ PHE A 29 -4.217 -0.697 2.282 1.00 0.00 C ATOM 0 H PHE A 29 -5.672 3.417 4.082 1.00 0.00 H new ATOM 0 HA PHE A 29 -6.935 4.732 1.897 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -7.344 2.490 0.661 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -5.838 3.337 0.369 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -7.307 0.629 2.477 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -3.797 2.232 0.673 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -6.051 -1.373 3.146 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -2.538 0.230 1.339 1.00 0.00 H new ATOM 0 HZ PHE A 29 -3.665 -1.579 2.573 1.00 0.00 H new ATOM 399 N LYS A 30 -9.084 3.254 2.403 1.00 0.00 N ATOM 400 CA LYS A 30 -10.324 2.801 3.023 1.00 0.00 C ATOM 401 C LYS A 30 -11.002 1.737 2.167 1.00 0.00 C ATOM 402 O LYS A 30 -10.863 1.729 0.944 1.00 0.00 O ATOM 403 CB LYS A 30 -11.273 3.982 3.235 1.00 0.00 C ATOM 404 CG LYS A 30 -10.718 5.051 4.160 1.00 0.00 C ATOM 405 CD LYS A 30 -10.615 4.552 5.591 1.00 0.00 C ATOM 406 CE LYS A 30 -11.980 4.487 6.258 1.00 0.00 C ATOM 407 NZ LYS A 30 -12.581 5.839 6.425 1.00 0.00 N ATOM 0 H LYS A 30 -9.188 3.576 1.441 1.00 0.00 H new ATOM 0 HA LYS A 30 -10.079 2.362 3.990 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -11.500 4.432 2.269 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -12.213 3.612 3.644 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -9.733 5.361 3.810 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -11.360 5.931 4.126 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -10.157 3.563 5.601 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -9.961 5.212 6.161 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -12.647 3.865 5.661 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -11.885 4.009 7.233 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -13.329 5.800 7.147 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -11.846 6.511 6.724 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -12.989 6.152 5.521 1.00 0.00 H new ATOM 421 N ALA A 31 -11.738 0.841 2.817 1.00 0.00 N ATOM 422 CA ALA A 31 -12.441 -0.226 2.115 1.00 0.00 C ATOM 423 C ALA A 31 -13.056 0.285 0.817 1.00 0.00 C ATOM 424 O ALA A 31 -13.902 1.178 0.828 1.00 0.00 O ATOM 425 CB ALA A 31 -13.514 -0.828 3.009 1.00 0.00 C ATOM 0 H ALA A 31 -11.863 0.833 3.829 1.00 0.00 H new ATOM 0 HA ALA A 31 -11.717 -1.001 1.863 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -14.031 -1.623 2.472 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -13.052 -1.238 3.907 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -14.230 -0.055 3.290 1.00 0.00 H new ATOM 431 N GLY A 32 -12.625 -0.289 -0.303 1.00 0.00 N ATOM 432 CA GLY A 32 -13.144 0.123 -1.594 1.00 0.00 C ATOM 433 C GLY A 32 -12.045 0.501 -2.567 1.00 0.00 C ATOM 434 O GLY A 32 -12.114 0.172 -3.751 1.00 0.00 O ATOM 0 H GLY A 32 -11.926 -1.031 -0.339 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -13.738 -0.686 -2.018 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -13.813 0.973 -1.459 1.00 0.00 H new ATOM 438 N ASP A 33 -11.028 1.195 -2.068 1.00 0.00 N ATOM 439 CA ASP A 33 -9.909 1.620 -2.901 1.00 0.00 C ATOM 440 C ASP A 33 -9.234 0.419 -3.557 1.00 0.00 C ATOM 441 O ASP A 33 -9.197 -0.672 -2.989 1.00 0.00 O ATOM 442 CB ASP A 33 -8.892 2.400 -2.068 1.00 0.00 C ATOM 443 CG ASP A 33 -7.871 1.497 -1.405 1.00 0.00 C ATOM 444 OD1 ASP A 33 -8.283 0.577 -0.668 1.00 0.00 O ATOM 445 OD2 ASP A 33 -6.660 1.710 -1.621 1.00 0.00 O ATOM 0 H ASP A 33 -10.955 1.475 -1.090 1.00 0.00 H new ATOM 0 HA ASP A 33 -10.298 2.269 -3.685 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -8.377 3.117 -2.707 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -9.416 2.973 -1.303 1.00 0.00 H new ATOM 450 N VAL A 34 -8.702 0.628 -4.757 1.00 0.00 N ATOM 451 CA VAL A 34 -8.028 -0.436 -5.490 1.00 0.00 C ATOM 452 C VAL A 34 -6.526 -0.184 -5.569 1.00 0.00 C ATOM 453 O VAL A 34 -6.080 0.777 -6.197 1.00 0.00 O ATOM 454 CB VAL A 34 -8.589 -0.577 -6.918 1.00 0.00 C ATOM 455 CG1 VAL A 34 -7.881 -1.699 -7.662 1.00 0.00 C ATOM 456 CG2 VAL A 34 -10.090 -0.817 -6.878 1.00 0.00 C ATOM 0 H VAL A 34 -8.725 1.525 -5.242 1.00 0.00 H new ATOM 0 HA VAL A 34 -8.210 -1.361 -4.943 1.00 0.00 H new ATOM 0 HB VAL A 34 -8.407 0.354 -7.455 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -8.291 -1.783 -8.669 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -6.815 -1.480 -7.721 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -8.029 -2.639 -7.130 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -10.470 -0.914 -7.895 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -10.297 -1.732 -6.324 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -10.580 0.024 -6.386 1.00 0.00 H new ATOM 466 N ILE A 35 -5.752 -1.053 -4.928 1.00 0.00 N ATOM 467 CA ILE A 35 -4.300 -0.926 -4.927 1.00 0.00 C ATOM 468 C ILE A 35 -3.664 -1.864 -5.948 1.00 0.00 C ATOM 469 O ILE A 35 -3.644 -3.081 -5.760 1.00 0.00 O ATOM 470 CB ILE A 35 -3.709 -1.223 -3.536 1.00 0.00 C ATOM 471 CG1 ILE A 35 -4.321 -0.290 -2.489 1.00 0.00 C ATOM 472 CG2 ILE A 35 -2.195 -1.079 -3.561 1.00 0.00 C ATOM 473 CD1 ILE A 35 -5.592 -0.828 -1.869 1.00 0.00 C ATOM 0 H ILE A 35 -6.106 -1.852 -4.403 1.00 0.00 H new ATOM 0 HA ILE A 35 -4.074 0.106 -5.196 1.00 0.00 H new ATOM 0 HB ILE A 35 -3.952 -2.251 -3.266 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -3.589 -0.112 -1.701 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -4.532 0.674 -2.952 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -1.793 -1.292 -2.571 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -1.775 -1.780 -4.282 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -1.931 -0.061 -3.848 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -5.970 -0.115 -1.136 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -6.340 -0.980 -2.647 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -5.383 -1.778 -1.376 1.00 0.00 H new ATOM 485 N LYS A 36 -3.145 -1.290 -7.028 1.00 0.00 N ATOM 486 CA LYS A 36 -2.505 -2.074 -8.078 1.00 0.00 C ATOM 487 C LYS A 36 -1.147 -2.594 -7.618 1.00 0.00 C ATOM 488 O LYS A 36 -0.157 -1.862 -7.622 1.00 0.00 O ATOM 489 CB LYS A 36 -2.338 -1.229 -9.343 1.00 0.00 C ATOM 490 CG LYS A 36 -1.773 -2.003 -10.521 1.00 0.00 C ATOM 491 CD LYS A 36 -2.218 -1.406 -11.846 1.00 0.00 C ATOM 492 CE LYS A 36 -1.498 -0.098 -12.137 1.00 0.00 C ATOM 493 NZ LYS A 36 -1.768 0.388 -13.519 1.00 0.00 N ATOM 0 H LYS A 36 -3.155 -0.285 -7.199 1.00 0.00 H new ATOM 0 HA LYS A 36 -3.145 -2.928 -8.300 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -3.306 -0.814 -9.623 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -1.681 -0.387 -9.123 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -0.684 -2.004 -10.469 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -2.095 -3.043 -10.463 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -2.024 -2.116 -12.650 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -3.294 -1.234 -11.826 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -1.813 0.658 -11.418 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -0.425 -0.237 -12.004 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -1.260 1.281 -13.678 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -1.444 -0.322 -14.206 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -2.789 0.545 -13.639 1.00 0.00 H new ATOM 507 N VAL A 37 -1.107 -3.862 -7.223 1.00 0.00 N ATOM 508 CA VAL A 37 0.131 -4.481 -6.763 1.00 0.00 C ATOM 509 C VAL A 37 1.197 -4.454 -7.852 1.00 0.00 C ATOM 510 O VAL A 37 1.043 -5.080 -8.902 1.00 0.00 O ATOM 511 CB VAL A 37 -0.101 -5.939 -6.321 1.00 0.00 C ATOM 512 CG1 VAL A 37 1.212 -6.587 -5.910 1.00 0.00 C ATOM 513 CG2 VAL A 37 -1.112 -5.997 -5.187 1.00 0.00 C ATOM 0 H VAL A 37 -1.917 -4.481 -7.212 1.00 0.00 H new ATOM 0 HA VAL A 37 0.476 -3.901 -5.907 1.00 0.00 H new ATOM 0 HB VAL A 37 -0.505 -6.497 -7.166 1.00 0.00 H new ATOM 0 HG11 VAL A 37 1.029 -7.616 -5.601 1.00 0.00 H new ATOM 0 HG12 VAL A 37 1.902 -6.579 -6.754 1.00 0.00 H new ATOM 0 HG13 VAL A 37 1.648 -6.031 -5.080 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -1.264 -7.034 -4.887 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -0.739 -5.425 -4.338 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -2.059 -5.574 -5.522 1.00 0.00 H new ATOM 523 N LEU A 38 2.278 -3.727 -7.596 1.00 0.00 N ATOM 524 CA LEU A 38 3.372 -3.618 -8.555 1.00 0.00 C ATOM 525 C LEU A 38 4.358 -4.770 -8.389 1.00 0.00 C ATOM 526 O LEU A 38 4.661 -5.484 -9.345 1.00 0.00 O ATOM 527 CB LEU A 38 4.097 -2.282 -8.383 1.00 0.00 C ATOM 528 CG LEU A 38 3.331 -1.040 -8.840 1.00 0.00 C ATOM 529 CD1 LEU A 38 4.225 0.190 -8.780 1.00 0.00 C ATOM 530 CD2 LEU A 38 2.786 -1.237 -10.247 1.00 0.00 C ATOM 0 H LEU A 38 2.421 -3.204 -6.732 1.00 0.00 H new ATOM 0 HA LEU A 38 2.949 -3.668 -9.558 1.00 0.00 H new ATOM 0 HB2 LEU A 38 4.350 -2.161 -7.330 1.00 0.00 H new ATOM 0 HB3 LEU A 38 5.037 -2.328 -8.933 1.00 0.00 H new ATOM 0 HG LEU A 38 2.490 -0.886 -8.164 1.00 0.00 H new ATOM 0 HD11 LEU A 38 3.663 1.064 -9.109 1.00 0.00 H new ATOM 0 HD12 LEU A 38 4.567 0.342 -7.756 1.00 0.00 H new ATOM 0 HD13 LEU A 38 5.086 0.046 -9.432 1.00 0.00 H new ATOM 0 HD21 LEU A 38 2.244 -0.343 -10.556 1.00 0.00 H new ATOM 0 HD22 LEU A 38 3.612 -1.416 -10.935 1.00 0.00 H new ATOM 0 HD23 LEU A 38 2.111 -2.093 -10.259 1.00 0.00 H new ATOM 542 N ASP A 39 4.854 -4.946 -7.169 1.00 0.00 N ATOM 543 CA ASP A 39 5.803 -6.013 -6.876 1.00 0.00 C ATOM 544 C ASP A 39 5.464 -6.694 -5.553 1.00 0.00 C ATOM 545 O ASP A 39 5.125 -6.033 -4.572 1.00 0.00 O ATOM 546 CB ASP A 39 7.228 -5.458 -6.827 1.00 0.00 C ATOM 547 CG ASP A 39 8.174 -6.358 -6.057 1.00 0.00 C ATOM 548 OD1 ASP A 39 8.432 -7.487 -6.525 1.00 0.00 O ATOM 549 OD2 ASP A 39 8.656 -5.933 -4.987 1.00 0.00 O ATOM 0 H ASP A 39 4.614 -4.363 -6.367 1.00 0.00 H new ATOM 0 HA ASP A 39 5.737 -6.754 -7.673 1.00 0.00 H new ATOM 0 HB2 ASP A 39 7.600 -5.330 -7.844 1.00 0.00 H new ATOM 0 HB3 ASP A 39 7.214 -4.471 -6.366 1.00 0.00 H new ATOM 554 N ALA A 40 5.558 -8.020 -5.535 1.00 0.00 N ATOM 555 CA ALA A 40 5.262 -8.790 -4.334 1.00 0.00 C ATOM 556 C ALA A 40 6.326 -9.854 -4.088 1.00 0.00 C ATOM 557 O ALA A 40 6.170 -11.006 -4.494 1.00 0.00 O ATOM 558 CB ALA A 40 3.886 -9.431 -4.443 1.00 0.00 C ATOM 0 H ALA A 40 5.837 -8.583 -6.339 1.00 0.00 H new ATOM 0 HA ALA A 40 5.266 -8.107 -3.484 1.00 0.00 H new ATOM 0 HB1 ALA A 40 3.678 -10.003 -3.539 1.00 0.00 H new ATOM 0 HB2 ALA A 40 3.131 -8.654 -4.562 1.00 0.00 H new ATOM 0 HB3 ALA A 40 3.862 -10.096 -5.306 1.00 0.00 H new ATOM 564 N SER A 41 7.407 -9.462 -3.422 1.00 0.00 N ATOM 565 CA SER A 41 8.499 -10.381 -3.127 1.00 0.00 C ATOM 566 C SER A 41 8.391 -10.913 -1.701 1.00 0.00 C ATOM 567 O SER A 41 8.479 -12.117 -1.467 1.00 0.00 O ATOM 568 CB SER A 41 9.847 -9.686 -3.324 1.00 0.00 C ATOM 569 OG SER A 41 10.921 -10.564 -3.034 1.00 0.00 O ATOM 0 H SER A 41 7.550 -8.513 -3.076 1.00 0.00 H new ATOM 0 HA SER A 41 8.429 -11.222 -3.816 1.00 0.00 H new ATOM 0 HB2 SER A 41 9.930 -9.332 -4.351 1.00 0.00 H new ATOM 0 HB3 SER A 41 9.905 -8.809 -2.679 1.00 0.00 H new ATOM 0 HG SER A 41 11.772 -10.096 -3.169 1.00 0.00 H new ATOM 575 N ASN A 42 8.201 -10.003 -0.750 1.00 0.00 N ATOM 576 CA ASN A 42 8.082 -10.379 0.654 1.00 0.00 C ATOM 577 C ASN A 42 6.870 -11.278 0.876 1.00 0.00 C ATOM 578 O ASN A 42 6.154 -11.618 -0.067 1.00 0.00 O ATOM 579 CB ASN A 42 7.971 -9.129 1.530 1.00 0.00 C ATOM 580 CG ASN A 42 9.095 -8.143 1.275 1.00 0.00 C ATOM 581 OD1 ASN A 42 9.295 -7.691 0.147 1.00 0.00 O ATOM 582 ND2 ASN A 42 9.834 -7.804 2.324 1.00 0.00 N ATOM 0 H ASN A 42 8.126 -9.001 -0.926 1.00 0.00 H new ATOM 0 HA ASN A 42 8.978 -10.933 0.933 1.00 0.00 H new ATOM 0 HB2 ASN A 42 7.014 -8.641 1.343 1.00 0.00 H new ATOM 0 HB3 ASN A 42 7.980 -9.422 2.580 1.00 0.00 H new ATOM 0 HD21 ASN A 42 10.604 -7.144 2.214 1.00 0.00 H new ATOM 0 HD22 ASN A 42 9.632 -8.204 3.241 1.00 0.00 H new ATOM 589 N LYS A 43 6.644 -11.660 2.128 1.00 0.00 N ATOM 590 CA LYS A 43 5.518 -12.518 2.476 1.00 0.00 C ATOM 591 C LYS A 43 4.215 -11.725 2.492 1.00 0.00 C ATOM 592 O LYS A 43 3.341 -11.933 1.650 1.00 0.00 O ATOM 593 CB LYS A 43 5.749 -13.168 3.842 1.00 0.00 C ATOM 594 CG LYS A 43 4.853 -14.366 4.105 1.00 0.00 C ATOM 595 CD LYS A 43 5.476 -15.652 3.587 1.00 0.00 C ATOM 596 CE LYS A 43 4.456 -16.777 3.518 1.00 0.00 C ATOM 597 NZ LYS A 43 4.321 -17.485 4.822 1.00 0.00 N ATOM 0 H LYS A 43 7.227 -11.388 2.920 1.00 0.00 H new ATOM 0 HA LYS A 43 5.439 -13.298 1.718 1.00 0.00 H new ATOM 0 HB2 LYS A 43 6.791 -13.481 3.915 1.00 0.00 H new ATOM 0 HB3 LYS A 43 5.585 -12.424 4.621 1.00 0.00 H new ATOM 0 HG2 LYS A 43 4.668 -14.455 5.176 1.00 0.00 H new ATOM 0 HG3 LYS A 43 3.886 -14.210 3.627 1.00 0.00 H new ATOM 0 HD2 LYS A 43 5.897 -15.480 2.596 1.00 0.00 H new ATOM 0 HD3 LYS A 43 6.300 -15.946 4.237 1.00 0.00 H new ATOM 0 HE2 LYS A 43 3.488 -16.372 3.223 1.00 0.00 H new ATOM 0 HE3 LYS A 43 4.752 -17.489 2.747 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 3.616 -18.245 4.733 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 5.239 -17.894 5.092 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 4.014 -16.812 5.553 1.00 0.00 H new ATOM 611 N ASP A 44 4.092 -10.816 3.452 1.00 0.00 N ATOM 612 CA ASP A 44 2.897 -9.991 3.576 1.00 0.00 C ATOM 613 C ASP A 44 3.236 -8.514 3.400 1.00 0.00 C ATOM 614 O ASP A 44 2.677 -7.653 4.081 1.00 0.00 O ATOM 615 CB ASP A 44 2.233 -10.216 4.935 1.00 0.00 C ATOM 616 CG ASP A 44 1.225 -11.348 4.906 1.00 0.00 C ATOM 617 OD1 ASP A 44 1.625 -12.505 5.154 1.00 0.00 O ATOM 618 OD2 ASP A 44 0.036 -11.078 4.635 1.00 0.00 O ATOM 0 H ASP A 44 4.806 -10.632 4.157 1.00 0.00 H new ATOM 0 HA ASP A 44 2.202 -10.283 2.789 1.00 0.00 H new ATOM 0 HB2 ASP A 44 2.999 -10.435 5.679 1.00 0.00 H new ATOM 0 HB3 ASP A 44 1.736 -9.298 5.250 1.00 0.00 H new ATOM 623 N TRP A 45 4.154 -8.228 2.484 1.00 0.00 N ATOM 624 CA TRP A 45 4.568 -6.854 2.220 1.00 0.00 C ATOM 625 C TRP A 45 4.867 -6.651 0.739 1.00 0.00 C ATOM 626 O TRP A 45 5.894 -7.105 0.236 1.00 0.00 O ATOM 627 CB TRP A 45 5.801 -6.503 3.055 1.00 0.00 C ATOM 628 CG TRP A 45 5.487 -6.237 4.496 1.00 0.00 C ATOM 629 CD1 TRP A 45 5.673 -7.090 5.546 1.00 0.00 C ATOM 630 CD2 TRP A 45 4.931 -5.037 5.045 1.00 0.00 C ATOM 631 NE1 TRP A 45 5.265 -6.494 6.714 1.00 0.00 N ATOM 632 CE2 TRP A 45 4.807 -5.234 6.434 1.00 0.00 C ATOM 633 CE3 TRP A 45 4.528 -3.816 4.498 1.00 0.00 C ATOM 634 CZ2 TRP A 45 4.295 -4.254 7.281 1.00 0.00 C ATOM 635 CZ3 TRP A 45 4.020 -2.845 5.340 1.00 0.00 C ATOM 636 CH2 TRP A 45 3.908 -3.068 6.719 1.00 0.00 C ATOM 0 H TRP A 45 4.626 -8.928 1.912 1.00 0.00 H new ATOM 0 HA TRP A 45 3.748 -6.193 2.500 1.00 0.00 H new ATOM 0 HB2 TRP A 45 6.518 -7.321 2.992 1.00 0.00 H new ATOM 0 HB3 TRP A 45 6.282 -5.624 2.627 1.00 0.00 H new ATOM 0 HD1 TRP A 45 6.081 -8.087 5.469 1.00 0.00 H new ATOM 0 HE1 TRP A 45 5.298 -6.921 7.640 1.00 0.00 H new ATOM 0 HE3 TRP A 45 4.612 -3.634 3.437 1.00 0.00 H new ATOM 0 HZ2 TRP A 45 4.207 -4.424 8.344 1.00 0.00 H new ATOM 0 HZ3 TRP A 45 3.704 -1.898 4.928 1.00 0.00 H new ATOM 0 HH2 TRP A 45 3.508 -2.288 7.351 1.00 0.00 H new ATOM 647 N TRP A 46 3.963 -5.966 0.047 1.00 0.00 N ATOM 648 CA TRP A 46 4.131 -5.703 -1.378 1.00 0.00 C ATOM 649 C TRP A 46 3.927 -4.224 -1.686 1.00 0.00 C ATOM 650 O TRP A 46 3.542 -3.446 -0.812 1.00 0.00 O ATOM 651 CB TRP A 46 3.149 -6.547 -2.192 1.00 0.00 C ATOM 652 CG TRP A 46 3.046 -7.964 -1.715 1.00 0.00 C ATOM 653 CD1 TRP A 46 4.072 -8.771 -1.315 1.00 0.00 C ATOM 654 CD2 TRP A 46 1.850 -8.740 -1.589 1.00 0.00 C ATOM 655 NE1 TRP A 46 3.586 -10.003 -0.949 1.00 0.00 N ATOM 656 CE2 TRP A 46 2.226 -10.009 -1.107 1.00 0.00 C ATOM 657 CE3 TRP A 46 0.497 -8.487 -1.835 1.00 0.00 C ATOM 658 CZ2 TRP A 46 1.297 -11.019 -0.868 1.00 0.00 C ATOM 659 CZ3 TRP A 46 -0.422 -9.490 -1.597 1.00 0.00 C ATOM 660 CH2 TRP A 46 -0.019 -10.744 -1.117 1.00 0.00 C ATOM 0 H TRP A 46 3.107 -5.583 0.449 1.00 0.00 H new ATOM 0 HA TRP A 46 5.149 -5.975 -1.655 1.00 0.00 H new ATOM 0 HB2 TRP A 46 2.163 -6.085 -2.151 1.00 0.00 H new ATOM 0 HB3 TRP A 46 3.459 -6.545 -3.237 1.00 0.00 H new ATOM 0 HD1 TRP A 46 5.113 -8.483 -1.290 1.00 0.00 H new ATOM 0 HE1 TRP A 46 4.147 -10.786 -0.614 1.00 0.00 H new ATOM 0 HE3 TRP A 46 0.176 -7.524 -2.205 1.00 0.00 H new ATOM 0 HZ2 TRP A 46 1.606 -11.986 -0.499 1.00 0.00 H new ATOM 0 HZ3 TRP A 46 -1.470 -9.305 -1.784 1.00 0.00 H new ATOM 0 HH2 TRP A 46 -0.762 -11.507 -0.941 1.00 0.00 H new ATOM 671 N TRP A 47 4.185 -3.842 -2.931 1.00 0.00 N ATOM 672 CA TRP A 47 4.029 -2.455 -3.353 1.00 0.00 C ATOM 673 C TRP A 47 2.773 -2.282 -4.200 1.00 0.00 C ATOM 674 O TRP A 47 2.353 -3.203 -4.900 1.00 0.00 O ATOM 675 CB TRP A 47 5.257 -1.999 -4.142 1.00 0.00 C ATOM 676 CG TRP A 47 5.316 -0.515 -4.343 1.00 0.00 C ATOM 677 CD1 TRP A 47 4.886 0.182 -5.436 1.00 0.00 C ATOM 678 CD2 TRP A 47 5.838 0.454 -3.427 1.00 0.00 C ATOM 679 NE1 TRP A 47 5.108 1.526 -5.254 1.00 0.00 N ATOM 680 CE2 TRP A 47 5.691 1.719 -4.030 1.00 0.00 C ATOM 681 CE3 TRP A 47 6.414 0.377 -2.156 1.00 0.00 C ATOM 682 CZ2 TRP A 47 6.100 2.894 -3.404 1.00 0.00 C ATOM 683 CZ3 TRP A 47 6.819 1.544 -1.536 1.00 0.00 C ATOM 684 CH2 TRP A 47 6.660 2.788 -2.160 1.00 0.00 C ATOM 0 H TRP A 47 4.503 -4.473 -3.666 1.00 0.00 H new ATOM 0 HA TRP A 47 3.930 -1.839 -2.459 1.00 0.00 H new ATOM 0 HB2 TRP A 47 6.157 -2.324 -3.620 1.00 0.00 H new ATOM 0 HB3 TRP A 47 5.258 -2.491 -5.115 1.00 0.00 H new ATOM 0 HD1 TRP A 47 4.437 -0.258 -6.314 1.00 0.00 H new ATOM 0 HE1 TRP A 47 4.876 2.261 -5.922 1.00 0.00 H new ATOM 0 HE3 TRP A 47 6.540 -0.578 -1.667 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 5.979 3.854 -3.883 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 7.266 1.496 -0.554 1.00 0.00 H new ATOM 0 HH2 TRP A 47 6.986 3.682 -1.649 1.00 0.00 H new ATOM 695 N GLY A 48 2.177 -1.095 -4.133 1.00 0.00 N ATOM 696 CA GLY A 48 0.975 -0.824 -4.899 1.00 0.00 C ATOM 697 C GLY A 48 0.903 0.612 -5.377 1.00 0.00 C ATOM 698 O GLY A 48 1.541 1.495 -4.805 1.00 0.00 O ATOM 0 H GLY A 48 2.506 -0.316 -3.562 1.00 0.00 H new ATOM 0 HA2 GLY A 48 0.938 -1.492 -5.759 1.00 0.00 H new ATOM 0 HA3 GLY A 48 0.100 -1.044 -4.287 1.00 0.00 H new ATOM 702 N GLN A 49 0.127 0.846 -6.430 1.00 0.00 N ATOM 703 CA GLN A 49 -0.023 2.186 -6.986 1.00 0.00 C ATOM 704 C GLN A 49 -1.467 2.663 -6.876 1.00 0.00 C ATOM 705 O GLN A 49 -2.376 2.058 -7.447 1.00 0.00 O ATOM 706 CB GLN A 49 0.424 2.206 -8.449 1.00 0.00 C ATOM 707 CG GLN A 49 0.855 3.581 -8.934 1.00 0.00 C ATOM 708 CD GLN A 49 1.647 3.522 -10.225 1.00 0.00 C ATOM 709 OE1 GLN A 49 1.150 3.892 -11.290 1.00 0.00 O ATOM 710 NE2 GLN A 49 2.887 3.056 -10.138 1.00 0.00 N ATOM 0 H GLN A 49 -0.408 0.126 -6.915 1.00 0.00 H new ATOM 0 HA GLN A 49 0.608 2.864 -6.411 1.00 0.00 H new ATOM 0 HB2 GLN A 49 1.252 1.509 -8.577 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -0.394 1.849 -9.075 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -0.028 4.203 -9.082 1.00 0.00 H new ATOM 0 HG3 GLN A 49 1.458 4.061 -8.164 1.00 0.00 H new ATOM 0 HE21 GLN A 49 3.259 2.760 -9.235 1.00 0.00 H new ATOM 0 HE22 GLN A 49 3.468 2.994 -10.974 1.00 0.00 H new ATOM 719 N ILE A 50 -1.672 3.750 -6.140 1.00 0.00 N ATOM 720 CA ILE A 50 -3.006 4.307 -5.957 1.00 0.00 C ATOM 721 C ILE A 50 -3.200 5.558 -6.807 1.00 0.00 C ATOM 722 O ILE A 50 -2.236 6.239 -7.157 1.00 0.00 O ATOM 723 CB ILE A 50 -3.272 4.657 -4.480 1.00 0.00 C ATOM 724 CG1 ILE A 50 -3.387 3.381 -3.644 1.00 0.00 C ATOM 725 CG2 ILE A 50 -4.535 5.495 -4.354 1.00 0.00 C ATOM 726 CD1 ILE A 50 -3.827 3.630 -2.219 1.00 0.00 C ATOM 0 H ILE A 50 -0.931 4.262 -5.661 1.00 0.00 H new ATOM 0 HA ILE A 50 -3.714 3.542 -6.274 1.00 0.00 H new ATOM 0 HB ILE A 50 -2.433 5.241 -4.103 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -4.097 2.706 -4.122 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -2.422 2.874 -3.634 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -4.710 5.734 -3.305 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -4.418 6.418 -4.922 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -5.384 4.934 -4.745 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -3.887 2.681 -1.686 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -3.106 4.280 -1.724 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -4.806 4.109 -2.219 1.00 0.00 H new ATOM 738 N ASP A 51 -4.453 5.856 -7.133 1.00 0.00 N ATOM 739 CA ASP A 51 -4.775 7.028 -7.940 1.00 0.00 C ATOM 740 C ASP A 51 -3.777 8.153 -7.687 1.00 0.00 C ATOM 741 O ASP A 51 -3.050 8.566 -8.590 1.00 0.00 O ATOM 742 CB ASP A 51 -6.194 7.509 -7.634 1.00 0.00 C ATOM 743 CG ASP A 51 -6.849 8.178 -8.827 1.00 0.00 C ATOM 744 OD1 ASP A 51 -7.099 7.482 -9.833 1.00 0.00 O ATOM 745 OD2 ASP A 51 -7.109 9.397 -8.755 1.00 0.00 O ATOM 0 H ASP A 51 -5.262 5.303 -6.851 1.00 0.00 H new ATOM 0 HA ASP A 51 -4.715 6.744 -8.990 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -6.802 6.661 -7.318 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -6.165 8.209 -6.799 1.00 0.00 H new ATOM 750 N ASP A 52 -3.749 8.645 -6.453 1.00 0.00 N ATOM 751 CA ASP A 52 -2.840 9.723 -6.081 1.00 0.00 C ATOM 752 C ASP A 52 -2.085 9.380 -4.800 1.00 0.00 C ATOM 753 O ASP A 52 -1.626 10.267 -4.083 1.00 0.00 O ATOM 754 CB ASP A 52 -3.613 11.030 -5.897 1.00 0.00 C ATOM 755 CG ASP A 52 -2.700 12.210 -5.628 1.00 0.00 C ATOM 756 OD1 ASP A 52 -1.832 12.495 -6.480 1.00 0.00 O ATOM 757 OD2 ASP A 52 -2.854 12.849 -4.566 1.00 0.00 O ATOM 0 H ASP A 52 -4.345 8.315 -5.694 1.00 0.00 H new ATOM 0 HA ASP A 52 -2.116 9.848 -6.886 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -4.204 11.228 -6.791 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -4.314 10.921 -5.069 1.00 0.00 H new ATOM 762 N GLU A 53 -1.962 8.086 -4.521 1.00 0.00 N ATOM 763 CA GLU A 53 -1.265 7.626 -3.326 1.00 0.00 C ATOM 764 C GLU A 53 -0.253 6.537 -3.672 1.00 0.00 C ATOM 765 O GLU A 53 -0.402 5.832 -4.669 1.00 0.00 O ATOM 766 CB GLU A 53 -2.265 7.099 -2.295 1.00 0.00 C ATOM 767 CG GLU A 53 -2.843 8.182 -1.399 1.00 0.00 C ATOM 768 CD GLU A 53 -3.926 7.659 -0.475 1.00 0.00 C ATOM 769 OE1 GLU A 53 -4.927 7.115 -0.985 1.00 0.00 O ATOM 770 OE2 GLU A 53 -3.772 7.794 0.756 1.00 0.00 O ATOM 0 H GLU A 53 -2.336 7.339 -5.106 1.00 0.00 H new ATOM 0 HA GLU A 53 -0.729 8.474 -2.900 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -3.080 6.597 -2.816 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -1.773 6.350 -1.674 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -2.043 8.620 -0.803 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -3.253 8.980 -2.018 1.00 0.00 H new ATOM 777 N GLU A 54 0.775 6.406 -2.839 1.00 0.00 N ATOM 778 CA GLU A 54 1.812 5.404 -3.057 1.00 0.00 C ATOM 779 C GLU A 54 2.505 5.044 -1.747 1.00 0.00 C ATOM 780 O GLU A 54 2.413 5.776 -0.762 1.00 0.00 O ATOM 781 CB GLU A 54 2.840 5.915 -4.068 1.00 0.00 C ATOM 782 CG GLU A 54 2.273 6.120 -5.463 1.00 0.00 C ATOM 783 CD GLU A 54 1.661 7.495 -5.647 1.00 0.00 C ATOM 784 OE1 GLU A 54 2.097 8.437 -4.954 1.00 0.00 O ATOM 785 OE2 GLU A 54 0.745 7.628 -6.486 1.00 0.00 O ATOM 0 H GLU A 54 0.912 6.981 -2.008 1.00 0.00 H new ATOM 0 HA GLU A 54 1.337 4.507 -3.454 1.00 0.00 H new ATOM 0 HB2 GLU A 54 3.251 6.859 -3.710 1.00 0.00 H new ATOM 0 HB3 GLU A 54 3.667 5.207 -4.122 1.00 0.00 H new ATOM 0 HG2 GLU A 54 3.065 5.978 -6.198 1.00 0.00 H new ATOM 0 HG3 GLU A 54 1.516 5.360 -5.659 1.00 0.00 H new ATOM 792 N GLY A 55 3.200 3.911 -1.743 1.00 0.00 N ATOM 793 CA GLY A 55 3.899 3.472 -0.549 1.00 0.00 C ATOM 794 C GLY A 55 3.722 1.990 -0.285 1.00 0.00 C ATOM 795 O GLY A 55 3.313 1.240 -1.171 1.00 0.00 O ATOM 0 H GLY A 55 3.292 3.289 -2.546 1.00 0.00 H new ATOM 0 HA2 GLY A 55 4.961 3.695 -0.651 1.00 0.00 H new ATOM 0 HA3 GLY A 55 3.535 4.037 0.309 1.00 0.00 H new ATOM 799 N TRP A 56 4.031 1.568 0.936 1.00 0.00 N ATOM 800 CA TRP A 56 3.905 0.165 1.313 1.00 0.00 C ATOM 801 C TRP A 56 2.597 -0.084 2.055 1.00 0.00 C ATOM 802 O TRP A 56 2.163 0.739 2.861 1.00 0.00 O ATOM 803 CB TRP A 56 5.089 -0.258 2.185 1.00 0.00 C ATOM 804 CG TRP A 56 6.264 -0.748 1.394 1.00 0.00 C ATOM 805 CD1 TRP A 56 6.248 -1.677 0.393 1.00 0.00 C ATOM 806 CD2 TRP A 56 7.627 -0.335 1.540 1.00 0.00 C ATOM 807 NE1 TRP A 56 7.520 -1.866 -0.092 1.00 0.00 N ATOM 808 CE2 TRP A 56 8.384 -1.055 0.594 1.00 0.00 C ATOM 809 CE3 TRP A 56 8.282 0.573 2.376 1.00 0.00 C ATOM 810 CZ2 TRP A 56 9.761 -0.893 0.465 1.00 0.00 C ATOM 811 CZ3 TRP A 56 9.649 0.732 2.246 1.00 0.00 C ATOM 812 CH2 TRP A 56 10.376 0.003 1.296 1.00 0.00 C ATOM 0 H TRP A 56 4.370 2.177 1.681 1.00 0.00 H new ATOM 0 HA TRP A 56 3.903 -0.432 0.401 1.00 0.00 H new ATOM 0 HB2 TRP A 56 5.400 0.588 2.798 1.00 0.00 H new ATOM 0 HB3 TRP A 56 4.766 -1.044 2.867 1.00 0.00 H new ATOM 0 HD1 TRP A 56 5.366 -2.188 0.035 1.00 0.00 H new ATOM 0 HE1 TRP A 56 7.779 -2.507 -0.842 1.00 0.00 H new ATOM 0 HE3 TRP A 56 7.730 1.140 3.111 1.00 0.00 H new ATOM 0 HZ2 TRP A 56 10.324 -1.455 -0.266 1.00 0.00 H new ATOM 0 HZ3 TRP A 56 10.165 1.430 2.888 1.00 0.00 H new ATOM 0 HH2 TRP A 56 11.443 0.151 1.218 1.00 0.00 H new ATOM 823 N PHE A 57 1.972 -1.224 1.779 1.00 0.00 N ATOM 824 CA PHE A 57 0.712 -1.581 2.420 1.00 0.00 C ATOM 825 C PHE A 57 0.629 -3.086 2.656 1.00 0.00 C ATOM 826 O PHE A 57 1.229 -3.887 1.939 1.00 0.00 O ATOM 827 CB PHE A 57 -0.469 -1.121 1.563 1.00 0.00 C ATOM 828 CG PHE A 57 -0.641 -1.920 0.302 1.00 0.00 C ATOM 829 CD1 PHE A 57 0.180 -1.698 -0.791 1.00 0.00 C ATOM 830 CD2 PHE A 57 -1.623 -2.892 0.211 1.00 0.00 C ATOM 831 CE1 PHE A 57 0.023 -2.430 -1.953 1.00 0.00 C ATOM 832 CE2 PHE A 57 -1.785 -3.628 -0.947 1.00 0.00 C ATOM 833 CZ PHE A 57 -0.959 -3.398 -2.031 1.00 0.00 C ATOM 0 H PHE A 57 2.318 -1.917 1.115 1.00 0.00 H new ATOM 0 HA PHE A 57 0.669 -1.077 3.386 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -1.383 -1.187 2.153 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -0.332 -0.071 1.303 1.00 0.00 H new ATOM 0 HD1 PHE A 57 0.952 -0.944 -0.735 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -2.270 -3.077 1.056 1.00 0.00 H new ATOM 0 HE1 PHE A 57 0.668 -2.245 -2.799 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -2.556 -4.382 -1.005 1.00 0.00 H new ATOM 0 HZ PHE A 57 -1.081 -3.974 -2.937 1.00 0.00 H new ATOM 843 N PRO A 58 -0.133 -3.482 3.687 1.00 0.00 N ATOM 844 CA PRO A 58 -0.313 -4.892 4.042 1.00 0.00 C ATOM 845 C PRO A 58 -1.144 -5.648 3.011 1.00 0.00 C ATOM 846 O PRO A 58 -2.071 -5.094 2.421 1.00 0.00 O ATOM 847 CB PRO A 58 -1.052 -4.829 5.382 1.00 0.00 C ATOM 848 CG PRO A 58 -1.760 -3.519 5.362 1.00 0.00 C ATOM 849 CD PRO A 58 -0.877 -2.582 4.585 1.00 0.00 C ATOM 0 HA PRO A 58 0.637 -5.425 4.088 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -1.753 -5.657 5.487 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -0.358 -4.891 6.220 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -2.739 -3.612 4.892 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -1.926 -3.150 6.374 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -1.460 -1.850 4.027 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -0.208 -2.024 5.240 1.00 0.00 H new ATOM 857 N ALA A 59 -0.806 -6.916 2.800 1.00 0.00 N ATOM 858 CA ALA A 59 -1.523 -7.748 1.841 1.00 0.00 C ATOM 859 C ALA A 59 -2.755 -8.382 2.479 1.00 0.00 C ATOM 860 O ALA A 59 -3.828 -8.418 1.877 1.00 0.00 O ATOM 861 CB ALA A 59 -0.603 -8.823 1.283 1.00 0.00 C ATOM 0 H ALA A 59 -0.041 -7.389 3.280 1.00 0.00 H new ATOM 0 HA ALA A 59 -1.857 -7.111 1.022 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -1.152 -9.437 0.568 1.00 0.00 H new ATOM 0 HB2 ALA A 59 0.244 -8.353 0.783 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -0.241 -9.451 2.097 1.00 0.00 H new ATOM 867 N SER A 60 -2.593 -8.882 3.700 1.00 0.00 N ATOM 868 CA SER A 60 -3.691 -9.520 4.417 1.00 0.00 C ATOM 869 C SER A 60 -4.906 -8.599 4.478 1.00 0.00 C ATOM 870 O SER A 60 -6.048 -9.061 4.508 1.00 0.00 O ATOM 871 CB SER A 60 -3.252 -9.898 5.832 1.00 0.00 C ATOM 872 OG SER A 60 -4.369 -10.206 6.648 1.00 0.00 O ATOM 0 H SER A 60 -1.712 -8.858 4.213 1.00 0.00 H new ATOM 0 HA SER A 60 -3.969 -10.425 3.877 1.00 0.00 H new ATOM 0 HB2 SER A 60 -2.580 -10.756 5.791 1.00 0.00 H new ATOM 0 HB3 SER A 60 -2.691 -9.075 6.274 1.00 0.00 H new ATOM 0 HG SER A 60 -4.061 -10.446 7.547 1.00 0.00 H new ATOM 878 N PHE A 61 -4.653 -7.295 4.497 1.00 0.00 N ATOM 879 CA PHE A 61 -5.725 -6.309 4.555 1.00 0.00 C ATOM 880 C PHE A 61 -6.563 -6.340 3.281 1.00 0.00 C ATOM 881 O PHE A 61 -7.742 -5.985 3.291 1.00 0.00 O ATOM 882 CB PHE A 61 -5.147 -4.908 4.765 1.00 0.00 C ATOM 883 CG PHE A 61 -4.952 -4.549 6.210 1.00 0.00 C ATOM 884 CD1 PHE A 61 -4.209 -5.367 7.047 1.00 0.00 C ATOM 885 CD2 PHE A 61 -5.512 -3.395 6.733 1.00 0.00 C ATOM 886 CE1 PHE A 61 -4.029 -5.040 8.377 1.00 0.00 C ATOM 887 CE2 PHE A 61 -5.336 -3.062 8.063 1.00 0.00 C ATOM 888 CZ PHE A 61 -4.592 -3.885 8.886 1.00 0.00 C ATOM 0 H PHE A 61 -3.714 -6.896 4.473 1.00 0.00 H new ATOM 0 HA PHE A 61 -6.369 -6.559 5.398 1.00 0.00 H new ATOM 0 HB2 PHE A 61 -4.189 -4.838 4.249 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -5.811 -4.177 4.304 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -3.766 -6.270 6.655 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -6.093 -2.747 6.094 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -3.449 -5.686 9.019 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -5.779 -2.160 8.458 1.00 0.00 H new ATOM 0 HZ PHE A 61 -4.451 -3.626 9.925 1.00 0.00 H new ATOM 898 N VAL A 62 -5.946 -6.767 2.184 1.00 0.00 N ATOM 899 CA VAL A 62 -6.634 -6.845 0.901 1.00 0.00 C ATOM 900 C VAL A 62 -6.719 -8.286 0.410 1.00 0.00 C ATOM 901 O VAL A 62 -5.860 -9.111 0.723 1.00 0.00 O ATOM 902 CB VAL A 62 -5.926 -5.992 -0.168 1.00 0.00 C ATOM 903 CG1 VAL A 62 -5.817 -4.545 0.290 1.00 0.00 C ATOM 904 CG2 VAL A 62 -4.553 -6.565 -0.485 1.00 0.00 C ATOM 0 H VAL A 62 -4.971 -7.064 2.158 1.00 0.00 H new ATOM 0 HA VAL A 62 -7.640 -6.457 1.057 1.00 0.00 H new ATOM 0 HB VAL A 62 -6.522 -6.016 -1.080 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -5.314 -3.957 -0.478 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -6.815 -4.141 0.461 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -5.244 -4.499 1.216 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -4.068 -5.949 -1.242 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -3.945 -6.574 0.420 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -4.661 -7.583 -0.860 1.00 0.00 H new ATOM 914 N ARG A 63 -7.760 -8.582 -0.361 1.00 0.00 N ATOM 915 CA ARG A 63 -7.958 -9.925 -0.895 1.00 0.00 C ATOM 916 C ARG A 63 -7.662 -9.964 -2.391 1.00 0.00 C ATOM 917 O ARG A 63 -8.026 -9.048 -3.131 1.00 0.00 O ATOM 918 CB ARG A 63 -9.391 -10.393 -0.635 1.00 0.00 C ATOM 919 CG ARG A 63 -9.712 -10.586 0.838 1.00 0.00 C ATOM 920 CD ARG A 63 -9.140 -11.892 1.367 1.00 0.00 C ATOM 921 NE ARG A 63 -9.184 -11.958 2.825 1.00 0.00 N ATOM 922 CZ ARG A 63 -8.748 -12.998 3.527 1.00 0.00 C ATOM 923 NH1 ARG A 63 -8.237 -14.053 2.907 1.00 0.00 N ATOM 924 NH2 ARG A 63 -8.822 -12.984 4.852 1.00 0.00 N ATOM 0 H ARG A 63 -8.479 -7.911 -0.630 1.00 0.00 H new ATOM 0 HA ARG A 63 -7.266 -10.597 -0.388 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -10.084 -9.665 -1.057 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -9.558 -11.333 -1.161 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -9.308 -9.752 1.412 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -10.793 -10.577 0.980 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -9.700 -12.729 0.949 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -8.109 -11.999 1.030 1.00 0.00 H new ATOM 0 HE ARG A 63 -9.571 -11.162 3.332 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -8.178 -14.067 1.889 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -7.903 -14.850 3.448 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -9.214 -12.174 5.332 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -8.487 -13.783 5.390 1.00 0.00 H new ATOM 938 N LEU A 64 -7.000 -11.028 -2.830 1.00 0.00 N ATOM 939 CA LEU A 64 -6.654 -11.187 -4.238 1.00 0.00 C ATOM 940 C LEU A 64 -7.874 -11.600 -5.055 1.00 0.00 C ATOM 941 O LEU A 64 -8.762 -12.292 -4.557 1.00 0.00 O ATOM 942 CB LEU A 64 -5.544 -12.228 -4.397 1.00 0.00 C ATOM 943 CG LEU A 64 -4.220 -11.907 -3.703 1.00 0.00 C ATOM 944 CD1 LEU A 64 -3.269 -13.090 -3.794 1.00 0.00 C ATOM 945 CD2 LEU A 64 -3.587 -10.664 -4.311 1.00 0.00 C ATOM 0 H LEU A 64 -6.692 -11.794 -2.231 1.00 0.00 H new ATOM 0 HA LEU A 64 -6.298 -10.226 -4.610 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -5.910 -13.181 -4.015 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -5.350 -12.364 -5.461 1.00 0.00 H new ATOM 0 HG LEU A 64 -4.422 -11.710 -2.650 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -2.332 -12.843 -3.295 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -3.720 -13.957 -3.311 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -3.072 -13.319 -4.841 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -2.646 -10.450 -3.805 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -3.399 -10.833 -5.371 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -4.263 -9.817 -4.193 1.00 0.00 H new ATOM 957 N TRP A 65 -7.910 -11.173 -6.312 1.00 0.00 N ATOM 958 CA TRP A 65 -9.021 -11.501 -7.199 1.00 0.00 C ATOM 959 C TRP A 65 -8.913 -12.937 -7.699 1.00 0.00 C ATOM 960 O TRP A 65 -9.840 -13.731 -7.540 1.00 0.00 O ATOM 961 CB TRP A 65 -9.054 -10.536 -8.386 1.00 0.00 C ATOM 962 CG TRP A 65 -9.602 -9.185 -8.038 1.00 0.00 C ATOM 963 CD1 TRP A 65 -10.470 -8.888 -7.026 1.00 0.00 C ATOM 964 CD2 TRP A 65 -9.320 -7.949 -8.703 1.00 0.00 C ATOM 965 NE1 TRP A 65 -10.745 -7.542 -7.022 1.00 0.00 N ATOM 966 CE2 TRP A 65 -10.051 -6.943 -8.040 1.00 0.00 C ATOM 967 CE3 TRP A 65 -8.521 -7.593 -9.792 1.00 0.00 C ATOM 968 CZ2 TRP A 65 -10.005 -5.608 -8.433 1.00 0.00 C ATOM 969 CZ3 TRP A 65 -8.476 -6.268 -10.181 1.00 0.00 C ATOM 970 CH2 TRP A 65 -9.214 -5.288 -9.503 1.00 0.00 C ATOM 0 H TRP A 65 -7.183 -10.599 -6.740 1.00 0.00 H new ATOM 0 HA TRP A 65 -9.947 -11.402 -6.633 1.00 0.00 H new ATOM 0 HB2 TRP A 65 -8.044 -10.420 -8.779 1.00 0.00 H new ATOM 0 HB3 TRP A 65 -9.658 -10.971 -9.182 1.00 0.00 H new ATOM 0 HD1 TRP A 65 -10.880 -9.606 -6.331 1.00 0.00 H new ATOM 0 HE1 TRP A 65 -11.365 -7.066 -6.367 1.00 0.00 H new ATOM 0 HE3 TRP A 65 -7.948 -8.341 -10.321 1.00 0.00 H new ATOM 0 HZ2 TRP A 65 -10.573 -4.852 -7.912 1.00 0.00 H new ATOM 0 HZ3 TRP A 65 -7.862 -5.982 -11.022 1.00 0.00 H new ATOM 0 HH2 TRP A 65 -9.157 -4.261 -9.831 1.00 0.00 H new ATOM 981 N VAL A 66 -7.776 -13.265 -8.304 1.00 0.00 N ATOM 982 CA VAL A 66 -7.546 -14.607 -8.826 1.00 0.00 C ATOM 983 C VAL A 66 -8.114 -15.666 -7.888 1.00 0.00 C ATOM 984 O VAL A 66 -7.593 -15.885 -6.795 1.00 0.00 O ATOM 985 CB VAL A 66 -6.045 -14.877 -9.040 1.00 0.00 C ATOM 986 CG1 VAL A 66 -5.816 -16.326 -9.444 1.00 0.00 C ATOM 987 CG2 VAL A 66 -5.476 -13.928 -10.083 1.00 0.00 C ATOM 0 H VAL A 66 -6.999 -12.619 -8.445 1.00 0.00 H new ATOM 0 HA VAL A 66 -8.058 -14.665 -9.787 1.00 0.00 H new ATOM 0 HB VAL A 66 -5.524 -14.700 -8.099 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -4.750 -16.499 -9.591 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -6.185 -16.985 -8.659 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -6.348 -16.533 -10.372 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -4.414 -14.133 -10.221 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -5.999 -14.070 -11.029 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -5.606 -12.899 -9.748 1.00 0.00 H new ATOM 997 N ASN A 67 -9.186 -16.321 -8.322 1.00 0.00 N ATOM 998 CA ASN A 67 -9.825 -17.358 -7.520 1.00 0.00 C ATOM 999 C ASN A 67 -9.060 -18.674 -7.623 1.00 0.00 C ATOM 1000 O ASN A 67 -8.508 -19.001 -8.673 1.00 0.00 O ATOM 1001 CB ASN A 67 -11.273 -17.560 -7.971 1.00 0.00 C ATOM 1002 CG ASN A 67 -12.098 -18.311 -6.945 1.00 0.00 C ATOM 1003 OD1 ASN A 67 -12.153 -19.541 -6.955 1.00 0.00 O ATOM 1004 ND2 ASN A 67 -12.746 -17.573 -6.051 1.00 0.00 N ATOM 0 H ASN A 67 -9.630 -16.152 -9.224 1.00 0.00 H new ATOM 0 HA ASN A 67 -9.817 -17.034 -6.479 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -11.730 -16.589 -8.161 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -11.284 -18.107 -8.914 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -13.317 -18.023 -5.336 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -12.672 -16.556 -6.079 1.00 0.00 H new ATOM 1011 N GLN A 68 -9.034 -19.424 -6.526 1.00 0.00 N ATOM 1012 CA GLN A 68 -8.337 -20.704 -6.494 1.00 0.00 C ATOM 1013 C GLN A 68 -9.326 -21.864 -6.538 1.00 0.00 C ATOM 1014 O GLN A 68 -10.067 -22.096 -5.583 1.00 0.00 O ATOM 1015 CB GLN A 68 -7.470 -20.805 -5.237 1.00 0.00 C ATOM 1016 CG GLN A 68 -6.255 -21.703 -5.407 1.00 0.00 C ATOM 1017 CD GLN A 68 -5.611 -22.069 -4.084 1.00 0.00 C ATOM 1018 OE1 GLN A 68 -5.417 -21.216 -3.217 1.00 0.00 O ATOM 1019 NE2 GLN A 68 -5.277 -23.344 -3.921 1.00 0.00 N ATOM 0 H GLN A 68 -9.487 -19.168 -5.649 1.00 0.00 H new ATOM 0 HA GLN A 68 -7.697 -20.763 -7.374 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -7.137 -19.806 -4.954 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -8.078 -21.183 -4.415 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -6.551 -22.614 -5.927 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -5.521 -21.200 -6.037 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -5.456 -24.017 -4.666 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -4.841 -23.650 -3.051 1.00 0.00 H new ATOM 1028 N GLU A 69 -9.332 -22.588 -7.653 1.00 0.00 N ATOM 1029 CA GLU A 69 -10.232 -23.723 -7.821 1.00 0.00 C ATOM 1030 C GLU A 69 -9.690 -24.957 -7.105 1.00 0.00 C ATOM 1031 O GLU A 69 -8.602 -25.442 -7.419 1.00 0.00 O ATOM 1032 CB GLU A 69 -10.432 -24.028 -9.307 1.00 0.00 C ATOM 1033 CG GLU A 69 -9.211 -23.728 -10.160 1.00 0.00 C ATOM 1034 CD GLU A 69 -9.195 -22.302 -10.674 1.00 0.00 C ATOM 1035 OE1 GLU A 69 -10.218 -21.866 -11.244 1.00 0.00 O ATOM 1036 OE2 GLU A 69 -8.161 -21.622 -10.508 1.00 0.00 O ATOM 0 H GLU A 69 -8.724 -22.409 -8.453 1.00 0.00 H new ATOM 0 HA GLU A 69 -11.193 -23.461 -7.379 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -10.695 -25.080 -9.421 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -11.276 -23.446 -9.678 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -8.310 -23.909 -9.574 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -9.185 -24.415 -11.006 1.00 0.00 H new ATOM 1043 N ASP A 70 -10.456 -25.460 -6.144 1.00 0.00 N ATOM 1044 CA ASP A 70 -10.054 -26.638 -5.383 1.00 0.00 C ATOM 1045 C ASP A 70 -9.934 -27.857 -6.293 1.00 0.00 C ATOM 1046 O ASP A 70 -10.615 -27.950 -7.314 1.00 0.00 O ATOM 1047 CB ASP A 70 -11.060 -26.917 -4.265 1.00 0.00 C ATOM 1048 CG ASP A 70 -10.438 -27.662 -3.100 1.00 0.00 C ATOM 1049 OD1 ASP A 70 -9.290 -27.337 -2.734 1.00 0.00 O ATOM 1050 OD2 ASP A 70 -11.100 -28.570 -2.555 1.00 0.00 O ATOM 0 H ASP A 70 -11.359 -25.071 -5.873 1.00 0.00 H new ATOM 0 HA ASP A 70 -9.078 -26.439 -4.941 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -11.475 -25.974 -3.910 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -11.890 -27.500 -4.664 1.00 0.00 H new ATOM 1055 N GLU A 71 -9.064 -28.788 -5.915 1.00 0.00 N ATOM 1056 CA GLU A 71 -8.854 -30.000 -6.698 1.00 0.00 C ATOM 1057 C GLU A 71 -9.877 -31.071 -6.329 1.00 0.00 C ATOM 1058 O GLU A 71 -9.539 -32.246 -6.189 1.00 0.00 O ATOM 1059 CB GLU A 71 -7.438 -30.535 -6.481 1.00 0.00 C ATOM 1060 CG GLU A 71 -6.909 -31.349 -7.650 1.00 0.00 C ATOM 1061 CD GLU A 71 -5.556 -31.971 -7.363 1.00 0.00 C ATOM 1062 OE1 GLU A 71 -4.533 -31.280 -7.552 1.00 0.00 O ATOM 1063 OE2 GLU A 71 -5.520 -33.149 -6.951 1.00 0.00 O ATOM 0 H GLU A 71 -8.493 -28.726 -5.072 1.00 0.00 H new ATOM 0 HA GLU A 71 -8.982 -29.748 -7.751 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -6.766 -29.696 -6.299 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -7.426 -31.153 -5.584 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -7.623 -32.136 -7.892 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -6.831 -30.708 -8.528 1.00 0.00 H new ATOM 1070 N VAL A 72 -11.130 -30.655 -6.170 1.00 0.00 N ATOM 1071 CA VAL A 72 -12.202 -31.577 -5.817 1.00 0.00 C ATOM 1072 C VAL A 72 -12.550 -32.489 -6.988 1.00 0.00 C ATOM 1073 O VAL A 72 -12.507 -32.074 -8.145 1.00 0.00 O ATOM 1074 CB VAL A 72 -13.470 -30.821 -5.375 1.00 0.00 C ATOM 1075 CG1 VAL A 72 -13.194 -30.002 -4.123 1.00 0.00 C ATOM 1076 CG2 VAL A 72 -13.980 -29.934 -6.501 1.00 0.00 C ATOM 0 H VAL A 72 -11.427 -29.685 -6.280 1.00 0.00 H new ATOM 0 HA VAL A 72 -11.839 -32.181 -4.985 1.00 0.00 H new ATOM 0 HB VAL A 72 -14.244 -31.551 -5.139 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -14.101 -29.475 -3.826 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -12.879 -30.665 -3.317 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -12.405 -29.279 -4.328 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -14.876 -29.407 -6.172 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -13.211 -29.209 -6.770 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -14.219 -30.549 -7.369 1.00 0.00 H new ATOM 1086 N GLU A 73 -12.896 -33.735 -6.677 1.00 0.00 N ATOM 1087 CA GLU A 73 -13.252 -34.706 -7.705 1.00 0.00 C ATOM 1088 C GLU A 73 -12.375 -34.535 -8.942 1.00 0.00 C ATOM 1089 O GLU A 73 -12.851 -34.643 -10.072 1.00 0.00 O ATOM 1090 CB GLU A 73 -14.726 -34.561 -8.087 1.00 0.00 C ATOM 1091 CG GLU A 73 -15.307 -35.797 -8.755 1.00 0.00 C ATOM 1092 CD GLU A 73 -16.486 -35.476 -9.652 1.00 0.00 C ATOM 1093 OE1 GLU A 73 -17.491 -34.938 -9.143 1.00 0.00 O ATOM 1094 OE2 GLU A 73 -16.402 -35.763 -10.865 1.00 0.00 O ATOM 0 H GLU A 73 -12.937 -34.095 -5.723 1.00 0.00 H new ATOM 0 HA GLU A 73 -13.086 -35.704 -7.299 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -15.304 -34.337 -7.191 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -14.836 -33.710 -8.759 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -14.531 -36.286 -9.343 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -15.621 -36.506 -7.989 1.00 0.00 H new ATOM 1101 N GLU A 74 -11.092 -34.267 -8.719 1.00 0.00 N ATOM 1102 CA GLU A 74 -10.150 -34.079 -9.815 1.00 0.00 C ATOM 1103 C GLU A 74 -8.871 -34.877 -9.576 1.00 0.00 C ATOM 1104 O GLU A 74 -8.015 -34.476 -8.788 1.00 0.00 O ATOM 1105 CB GLU A 74 -9.815 -32.596 -9.981 1.00 0.00 C ATOM 1106 CG GLU A 74 -8.720 -32.329 -11.000 1.00 0.00 C ATOM 1107 CD GLU A 74 -9.123 -32.726 -12.407 1.00 0.00 C ATOM 1108 OE1 GLU A 74 -8.992 -33.920 -12.748 1.00 0.00 O ATOM 1109 OE2 GLU A 74 -9.569 -31.841 -13.168 1.00 0.00 O ATOM 0 H GLU A 74 -10.682 -34.175 -7.790 1.00 0.00 H new ATOM 0 HA GLU A 74 -10.619 -34.442 -10.729 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -10.716 -32.060 -10.280 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -9.508 -32.191 -9.016 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -8.465 -31.269 -10.984 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -7.822 -32.877 -10.715 1.00 0.00 H new ATOM 1116 N GLY A 75 -8.749 -36.009 -10.262 1.00 0.00 N ATOM 1117 CA GLY A 75 -7.573 -36.846 -10.110 1.00 0.00 C ATOM 1118 C GLY A 75 -7.518 -37.961 -11.135 1.00 0.00 C ATOM 1119 O GLY A 75 -7.468 -39.138 -10.779 1.00 0.00 O ATOM 0 H GLY A 75 -9.444 -36.362 -10.920 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -6.678 -36.230 -10.200 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -7.564 -37.277 -9.109 1.00 0.00 H new ATOM 1123 N SER A 76 -7.530 -37.591 -12.411 1.00 0.00 N ATOM 1124 CA SER A 76 -7.488 -38.570 -13.491 1.00 0.00 C ATOM 1125 C SER A 76 -6.332 -38.279 -14.443 1.00 0.00 C ATOM 1126 O SER A 76 -6.502 -38.273 -15.662 1.00 0.00 O ATOM 1127 CB SER A 76 -8.810 -38.570 -14.261 1.00 0.00 C ATOM 1128 OG SER A 76 -8.856 -39.633 -15.196 1.00 0.00 O ATOM 0 H SER A 76 -7.568 -36.621 -12.723 1.00 0.00 H new ATOM 0 HA SER A 76 -7.334 -39.554 -13.049 1.00 0.00 H new ATOM 0 HB2 SER A 76 -9.641 -38.660 -13.562 1.00 0.00 H new ATOM 0 HB3 SER A 76 -8.932 -37.619 -14.780 1.00 0.00 H new ATOM 0 HG SER A 76 -8.104 -39.554 -15.819 1.00 0.00 H new ATOM 1134 N GLY A 77 -5.153 -38.037 -13.877 1.00 0.00 N ATOM 1135 CA GLY A 77 -3.985 -37.748 -14.688 1.00 0.00 C ATOM 1136 C GLY A 77 -3.176 -38.990 -15.003 1.00 0.00 C ATOM 1137 O GLY A 77 -3.086 -39.918 -14.199 1.00 0.00 O ATOM 0 H GLY A 77 -4.986 -38.036 -12.871 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -4.301 -37.278 -15.619 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -3.353 -37.029 -14.166 1.00 0.00 H new ATOM 1141 N PRO A 78 -2.570 -39.019 -16.200 1.00 0.00 N ATOM 1142 CA PRO A 78 -1.755 -40.152 -16.647 1.00 0.00 C ATOM 1143 C PRO A 78 -0.446 -40.266 -15.872 1.00 0.00 C ATOM 1144 O PRO A 78 0.088 -39.268 -15.388 1.00 0.00 O ATOM 1145 CB PRO A 78 -1.479 -39.832 -18.118 1.00 0.00 C ATOM 1146 CG PRO A 78 -1.588 -38.349 -18.210 1.00 0.00 C ATOM 1147 CD PRO A 78 -2.635 -37.948 -17.208 1.00 0.00 C ATOM 0 HA PRO A 78 -2.261 -41.105 -16.492 1.00 0.00 H new ATOM 0 HB2 PRO A 78 -0.489 -40.176 -18.419 1.00 0.00 H new ATOM 0 HB3 PRO A 78 -2.199 -40.323 -18.772 1.00 0.00 H new ATOM 0 HG2 PRO A 78 -0.633 -37.873 -17.988 1.00 0.00 H new ATOM 0 HG3 PRO A 78 -1.872 -38.040 -19.216 1.00 0.00 H new ATOM 0 HD2 PRO A 78 -2.421 -36.972 -16.772 1.00 0.00 H new ATOM 0 HD3 PRO A 78 -3.623 -37.884 -17.663 1.00 0.00 H new ATOM 1155 N SER A 79 0.065 -41.487 -15.759 1.00 0.00 N ATOM 1156 CA SER A 79 1.310 -41.732 -15.040 1.00 0.00 C ATOM 1157 C SER A 79 2.195 -42.712 -15.804 1.00 0.00 C ATOM 1158 O SER A 79 1.734 -43.404 -16.712 1.00 0.00 O ATOM 1159 CB SER A 79 1.017 -42.275 -13.640 1.00 0.00 C ATOM 1160 OG SER A 79 2.171 -42.217 -12.819 1.00 0.00 O ATOM 0 H SER A 79 -0.364 -42.323 -16.156 1.00 0.00 H new ATOM 0 HA SER A 79 1.841 -40.785 -14.950 1.00 0.00 H new ATOM 0 HB2 SER A 79 0.213 -41.698 -13.184 1.00 0.00 H new ATOM 0 HB3 SER A 79 0.669 -43.305 -13.712 1.00 0.00 H new ATOM 0 HG SER A 79 1.957 -42.568 -11.929 1.00 0.00 H new ATOM 1166 N SER A 80 3.469 -42.765 -15.429 1.00 0.00 N ATOM 1167 CA SER A 80 4.421 -43.658 -16.080 1.00 0.00 C ATOM 1168 C SER A 80 4.150 -45.111 -15.701 1.00 0.00 C ATOM 1169 O SER A 80 3.812 -45.933 -16.551 1.00 0.00 O ATOM 1170 CB SER A 80 5.853 -43.277 -15.697 1.00 0.00 C ATOM 1171 OG SER A 80 6.772 -43.682 -16.697 1.00 0.00 O ATOM 0 H SER A 80 3.866 -42.200 -14.678 1.00 0.00 H new ATOM 0 HA SER A 80 4.301 -43.554 -17.158 1.00 0.00 H new ATOM 0 HB2 SER A 80 5.920 -42.199 -15.552 1.00 0.00 H new ATOM 0 HB3 SER A 80 6.115 -43.743 -14.747 1.00 0.00 H new ATOM 0 HG SER A 80 7.680 -43.426 -16.430 1.00 0.00 H new ATOM 1177 N GLY A 81 4.302 -45.419 -14.416 1.00 0.00 N ATOM 1178 CA GLY A 81 4.071 -46.772 -13.946 1.00 0.00 C ATOM 1179 C GLY A 81 3.003 -46.838 -12.872 1.00 0.00 C ATOM 1180 O GLY A 81 2.150 -45.955 -12.780 1.00 0.00 O ATOM 0 H GLY A 81 4.581 -44.756 -13.693 1.00 0.00 H new ATOM 0 HA2 GLY A 81 3.776 -47.400 -14.787 1.00 0.00 H new ATOM 0 HA3 GLY A 81 5.002 -47.181 -13.554 1.00 0.00 H new TER 1184 GLY A 81